SCHEMBL7646411

SCHEMBL7646411

c1ccc(Cc2c(-c3nnn[nH]3)oc3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.42
▸ PTPN1 P18031 4/20 0.41
▸ MAPT P10636 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ CA12 O43570 4/20 0.35
▸ CA9 Q16790 4/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ VKORC1 Q9BQB6 2/20 0.34
▸ AKR1B1 P15121 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ACP1 P24666 1/20 0.33

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
SCHEMBL9172007 0.78 PTPN1 (0.51) PTPN1MAPTPKMMTNR1AMTNR1B
SCHEMBL12892177 0.78 ACP1 (0.53) PTPN1PKMCA12CA9MEN1
SCHEMBL10372971 0.76 KDM4E (0.41) NQO1MAPTPKMCA12CA9
SCHEMBL26128173 0.74 KDM4E (0.40) MAPTPKMCA12CA9MEN1
SCHEMBL8711671 0.71 DDR2 (0.56) NQO1MAPTPKMCA12CA9
SCHEMBL7647208 0.70 BCL2 (0.32) MEN1KMT2AHSD17B10
SCHEMBL31652584 0.70 RAB9A (0.42) PKMCA12CA9MEN1KMT2A
SCHEMBL7671396 0.70 CYP2D6 (0.34) PTPN1MAPTKDM4EALDH1A1HSD17B10
SCHEMBL6955273 0.68 CALM1 (0.43) CA12CA9POLB
SCHEMBL10370972 0.68 TSHR (0.48) MAPTMEN1KMT2AKDM4EALDH1A1

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
JP-3332234-B2 — — 2002-10-07 — — JP claimed
EP-0640080-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS. SYNTEX INC (US) 1995-03-01 — — EP claimed
WO-1993023391-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-11-25 — — WO claimed
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