SCHEMBL10370294

SCHEMBL10370294

CC1CCCC(C)N1CCCn1nc(N)c2cc(O)ccc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.40
CACNA2D1 P54289 1/20 0.36
ATM Q13315 1/20 0.36
PARP1 P09874 1/20 0.35
HTR3A P46098 1/20 0.35
MTNR1B P49286 1/20 0.34
OPRM1 P35372 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34

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
SCHEMBL10368209 0.86 F10 (0.35) CACNA2D1ATMALDH1A1F10
SCHEMBL10367627 0.85 ESR1 (0.42) ESR1KDM4EALDH1A1HSD17B10
SCHEMBL10831303 0.83 ATM (0.44) CACNA2D1ATMPARP1HTR3AKDM4E
SCHEMBL10369154 0.79 ESR1 (0.46) ESR1
SCHEMBL10367554 0.78 ESR1 (0.45) ESR1
SCHEMBL10368046 0.78 ESR1 (0.45) ESR1
SCHEMBL10370342 0.78 ESR1 (0.39) ESR1OPRM1
SCHEMBL10370351 0.77 WEE1 (0.46) ESR1KDM4EALDH1A1
SCHEMBL10368895 0.77 CNR2 (0.36) ESR1MTNR1B
SCHEMBL10370283 0.75 ESR1 (0.49) ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0090972-B1 INDAZOLE DERIVATIVES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1990-05-30 EP disclosed
US-4533731-A ANTIINFLAMMATORY AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-08-06 US disclosed