SCHEMBL10371019

SCHEMBL10371019

CC(=O)Nc1c(C(=O)Nc2nnn[nH]2)oc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ SMN1; SMN2 Q16637 6/20 0.53
▸ NPC1 O15118 5/20 0.53
▸ RAB9A P51151 5/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ KDM4E B2RXH2 3/20 0.52
▸ HTT P42858 3/20 0.52
▸ MAPK1 P28482 3/20 0.50
▸ HTR2C P28335 1/20 0.48
▸ TP53 P04637 3/20 0.46
▸ MAPT P10636 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ NFKB1 P19838 1/20 0.44

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
SCHEMBL10372228 0.82 NPC1 (0.55) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10371913 0.81 NPC1 (0.36) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL13744476 0.77 TSHR (0.72) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10370972 0.77 TSHR (0.48) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2774243 0.77 TSHR (0.76) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8225601 0.76 NPC1 (0.43) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL11087477 0.75 HDAC1 (0.47) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10372795 0.74 BTK (0.37) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL11074319 0.74 CSNK2A2 (0.59) ALDH1A1SMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL20659868 0.73 TSHR (0.69) TSHRALDH1A1HSD17B10KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0187487-B1 BENZOTHIOPHENES AND BENZOFURANS HAVING ANTIALLERGIC ACTIVITY WARNER-LAMBERT COMPANY (US) 1990-08-29 — — EP claimed
US-4703053-A Benzothiophenes and benzofurans and antiallergic use thereof WARNER-LAMBERT COMPANY (US) 1987-10-27 — — US claimed
EP-0187487-A1 Benzothiophenes and benzofurans having antiallergic activity WARNER-LAMBERT COMPANY (US) 1986-07-16 — — EP claimed
EP-0187487-B1 BENZOTHIOPHENES AND BENZOFURANS HAVING ANTIALLERGIC ACTIVITY WARNER-LAMBERT COMPANY (US) 1990-08-29 — — EP disclosed
US-4703053-A Benzothiophenes and benzofurans and antiallergic use thereof WARNER-LAMBERT COMPANY (US) 1987-10-27 — — US disclosed
EP-0187487-A1 Benzothiophenes and benzofurans having antiallergic activity WARNER-LAMBERT COMPANY (US) 1986-07-16 — — EP disclosed
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