SCHEMBL10925514

SCHEMBL10925514

Cc1ccc(C(=O)c2noc(CC#N)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ LMNA P02545 4/20 0.41
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MAPT P10636 6/20 0.39
▸ HPGD P15428 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ MITF O75030 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SRD5A2 P31213 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ GAA P10253 3/20 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
SCHEMBL10924333 0.86 TSHR (0.40) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL10927504 0.86 SMN1; SMN2 (0.40) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL10924941 0.85 LMNA (0.53) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL10904041 0.81 ALDH1A1 (0.44) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL10925607 0.80 CXCL8 (0.43) TSHRALDH1A1LMNAKMT2AMAPT
SCHEMBL10923821 0.79 ALDH1A1 (0.42) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL10926015 0.74 NPC1 (0.63) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL10926631 0.70 LMNA (0.39) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL29923454 0.69 NFKB1 (0.60) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL3853732 0.67 KDM4E (0.44) ALDH1A1MEN1KMT2AMAPTHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4562186-A HYPOTENSIVE, ANALGESICS, AND ANTIINFLAMMATORY AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-12-31 — — US claimed
EP-0189080-A2 (1,2,4-Oxadiazol-3-YL)-arylmethanones, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1986-07-30 — — EP disclosed
US-4562186-A HYPOTENSIVE, ANALGESICS, AND ANTIINFLAMMATORY AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-12-31 — — US disclosed
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