SCHEMBL11330839

SCHEMBL11330839

N#CCc1nnc(-c2ccccc2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ KDR P35968 1/20 0.42
▸ LMNA P02545 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA5B Q9Y2D0 1/20 0.39
▸ QPCT Q16769 1/20 0.38
▸ QPCTL Q9NXS2 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ USP30 Q70CQ3 3/20 0.36
▸ SLC5A2 P31639 2/20 0.36
▸ IL4I1 Q96RQ9 1/20 0.36
▸ CDC7 O00311 1/20 0.36
▸ DBF4 Q9UBU7 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2539191 0.76 HDAC6 (0.48) ALDH1A1HDAC6POLBCA1CA2
SCHEMBL20864389 0.76 HDAC6 (0.48) ALDH1A1HDAC6POLBLMNACA1
SCHEMBL8402852 0.76 ALDH1A1 (0.52) ALDH1A1HDAC6POLBCA1CA2
SCHEMBL15081827 0.76 HDAC6 (0.51) ALDH1A1HDAC6POLBCA1CA2
SCHEMBL12993518 0.76 HDAC6 (0.63) ALDH1A1HDAC6POLBLMNAQPCT
SCHEMBL14846761 0.76 HDAC6 (0.48) ALDH1A1HDAC6POLBLMNACA1
SCHEMBL28216805 0.76 HDAC6 (0.48) ALDH1A1HDAC6POLBCA1CA2
Hydrochloric Acid SCHEMBL31123990 0.74 HDAC6 (0.47) ALDH1A1HDAC6POLBLMNACA1
Hydrochloric Acid SCHEMBL31124070 0.74 HDAC6 (0.47) ALDH1A1HDAC6POLBLMNACA1
Hydrochloric Acid SCHEMBL31123995 0.74 HDAC6 (0.47) ALDH1A1HDAC6POLBLMNACA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3036305-B1 COMPOUNDS WITH TERMINAL HETEROARYLCYANOVINYLENE GROUPS AND THEIR USE IN ORGANIC SOLAR CELLS BASF SE (DE) 2019-04-17 — — EP disclosed
EP-3036305-B1 COMPOUNDS WITH TERMINAL HETEROARYLCYANOVINYLENE GROUPS AND THEIR USE IN ORGANIC SOLAR CELLS BASF SE (DE) 2019-04-17 — — EP disclosed
US-9917260-B2 Compounds with terminal heteroarylcyanovinylene groups and their use in organic solar cells BASF SE (DE) 2018-03-13 — — US disclosed
US-9917260-B2 Compounds with terminal heteroarylcyanovinylene groups and their use in organic solar cells BASF SE (DE) 2018-03-13 — — US disclosed
US-9917260-B2 Compounds with terminal heteroarylcyanovinylene groups and their use in organic solar cells BASF SE (DE) 2018-03-13 — — US disclosed
US-20160248021-A1 COMPOUNDS WITH TERMINAL HETEROARYLCYANOVINYLENE GROUPS AND THEIR USE IN ORGANIC SOLAR CELLS BASF SE (DE) 2016-08-25 — — US disclosed
US-20160248021-A1 COMPOUNDS WITH TERMINAL HETEROARYLCYANOVINYLENE GROUPS AND THEIR USE IN ORGANIC SOLAR CELLS BASF SE (DE) 2016-08-25 — — US disclosed
US-20160248021-A1 COMPOUNDS WITH TERMINAL HETEROARYLCYANOVINYLENE GROUPS AND THEIR USE IN ORGANIC SOLAR CELLS BASF SE (DE) 2016-08-25 — — US disclosed
EP-3036305-A1 COMPOUNDS WITH TERMINAL HETEROARYLCYANOVINYLENE GROUPS AND THEIR USE IN ORGANIC SOLAR CELLS BASF SE (DE) 2016-06-29 — — EP disclosed
WO-2015024848-A1 COMPOUNDS WITH TERMINAL HETEROARYLCYANOVINYLENE GROUPS AND THEIR USE IN ORGANIC SOLAR CELLS BASF SE (DE) 2015-02-26 — — WO disclosed
WO-2015024848-A1 COMPOUNDS WITH TERMINAL HETEROARYLCYANOVINYLENE GROUPS AND THEIR USE IN ORGANIC SOLAR CELLS BASF SE (DE) 2015-02-26 — — WO disclosed
US-4268668-A FOR WOOL AND POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-05-19 — — US disclosed
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