SCHEMBL3735042

SCHEMBL3735042

O=C1c2cc3ccc(Cl)cc3nc2C=CC1O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.42
▸ HRH3 Q9Y5N1 2/20 0.35
▸ HTR3A P46098 2/20 0.32
▸ HTR3E A5X5Y0 1/20 0.32
▸ HTR3B O95264 1/20 0.32
▸ HTR3D Q70Z44 1/20 0.32
▸ HTR3C Q8WXA8 1/20 0.32
▸ NR4A2 P43354 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ PDGFRA P16234 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL11056896 0.89 PDE3B (0.38) RXFP1HRH3HTR3AHRH4KDM4E
SCHEMBL5384651 0.84 RXFP1 (0.37) RXFP1HRH3HTR3AHTR3EHTR3B
SCHEMBL11324116 0.82 RXFP1 (0.36) RXFP1HRH3POLBNPC1RAB9A
SCHEMBL3735368 0.81 RAB9A (0.45) RXFP1CYP2C19NPC1RAB9AKDM4E
SCHEMBL3745442 0.80 RXFP1 (0.36) RXFP1HRH3CYP1A2POLBCYP2C19
SCHEMBL11058817 0.80 BACE1 (0.36) HRH3KDM4E
SCHEMBL11059611 0.74 RXFP1 (0.39) RXFP1NR4A2NPC1RAB9AKDM4E
SCHEMBL3741505 0.70 LTB4R (0.32) —
SCHEMBL3736494 0.69 RXFP1 (0.36) RXFP1HRH3HTR3AHTR3EHTR3B
SCHEMBL5382968 0.68 RXFP1 (0.38) RXFP1HRH3HTR3AHTR3EHTR3B

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-7829578-B1 Aromatic ketones and uses thereof OREGON HEALTH & SCIENCE UNIVERSITY (US) 2010-11-09 — — US disclosed
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