SCHEMBL10372228

SCHEMBL10372228

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 11/20 0.55
▸ RAB9A P51151 9/20 0.55
▸ MAPT P10636 8/20 0.55
▸ KDM4E B2RXH2 6/20 0.55
▸ HTT P42858 3/20 0.55
▸ NFKB1 P19838 2/20 0.55
▸ NFKB2 Q00653 2/20 0.55
▸ RELA Q04206 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ USP2 O75604 1/20 0.55
▸ KMT2A Q03164 4/20 0.47
▸ SMN1; SMN2 Q16637 9/20 0.44
▸ LMNA P02545 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ CCR6 P51684 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ POLB P06746 3/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ AHR P35869 2/20 0.43

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
SCHEMBL10372795 0.82 BTK (0.37) NPC1RAB9AMAPTKDM4EHTT
SCHEMBL10371019 0.82 TSHR (0.54) NPC1RAB9AMAPTKDM4EHTT
SCHEMBL11074319 0.79 CSNK2A2 (0.59) NPC1RAB9AMAPTHTTALDH1A1
SCHEMBL11087477 0.78 HDAC1 (0.47) NPC1RAB9AMAPTKDM4EHTT
SCHEMBL8225601 0.76 NPC1 (0.43) NPC1RAB9AMAPTKDM4EHTT
SCHEMBL13743910 0.76 NPC1 (0.79) NPC1RAB9AMAPTKDM4EHTT
SCHEMBL3865064 0.74 NPC1 (0.60) NPC1RAB9AKDM4ENFKB1NFKB2
SCHEMBL10371913 0.74 NPC1 (0.36) NPC1RAB9AMAPTKDM4EHTT
SCHEMBL4194411 0.72 NPC1 (0.60) NPC1RAB9AMAPTKDM4EHTT
SCHEMBL1250218 0.72 ALDH1A1 (0.50) NPC1RAB9AMAPTKDM4EALDH1A1

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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