SCHEMBL15106963

SCHEMBL15106963

Cc1ncccc1C(=O)COc1ccc(Cl)cc1C#N

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 15/20 0.59
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ AGTR1 P30556 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ CYP2C9 P11712 1/20 0.41

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
SCHEMBL15107057 0.88 MEN1 (0.53) PTGDR2MEN1KMT2AAGTR1HTT
SCHEMBL14277068 0.78 MAPT (0.51) PTGDR2MEN1KMT2AMAPTALDH1A1
SCHEMBL15106962 0.76 MRGPRX4 (0.54) PTGDR2MEN1KMT2AMAPTALDH1A1
SCHEMBL4595546 0.75 PTGDR2 (0.68) PTGDR2MAPTCYP2C9
SCHEMBL1371655 0.74 PTGDR2 (1.00) PTGDR2CYP2C9
SCHEMBL2495570 0.74 ALDH1A1 (0.52) PTGDR2MEN1KMT2AALDH1A1RAB9A
SCHEMBL14277044 0.74 PTGDR2 (0.52) PTGDR2MAPTALDH1A1LMNAMRGPRX4
SCHEMBL4574442 0.74 NPC1 (0.56) PTGDR2MAPTALDH1A1LMNARAB9A
SCHEMBL1853203 0.73 PTGDR2 (0.51) PTGDR2MAPTMRGPRX4CYP2C9
SCHEMBL6213275 0.71 NPC1 (0.47) PTGDR2RAB9AMRGPRX4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486996-B2 Aroylfuranes and aroylthiophenes BASILEA PHARMACEUTICA AG (CH) 2013-07-16 — — US disclosed
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