SCHEMBL3745442

SCHEMBL3745442

COC1C=Cc2nc3cc(Cl)ccc3cc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.36
▸ ELANE P08246 1/20 0.34
▸ AGPAT2 O15120 3/20 0.32
▸ OPRK1 P41145 2/20 0.32
▸ PDGFRB P09619 1/20 0.31
▸ PDGFRA P16234 1/20 0.31
▸ PLA2G1B P04054 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ ATG4B Q9Y4P1 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL355569 0.82 BTK (0.39) RXFP1PDGFRBHSD17B10MEN1KMT2A
SCHEMBL5384651 0.81 RXFP1 (0.37) RXFP1OPRK1PDGFRBPDGFRAHRH3
SCHEMBL3735042 0.80 RXFP1 (0.42) RXFP1PDGFRBPDGFRAHRH3CYP1A2
SCHEMBL3741505 0.77 LTB4R (0.32) —
SCHEMBL11324116 0.76 RXFP1 (0.36) RXFP1HRH3TP53POLB
SCHEMBL11056896 0.69 PDE3B (0.38) RXFP1OPRK1MEN1KMT2AHRH3
SCHEMBL11319351 0.67 ESR1 (0.43) HSD17B10KMT2ATP53MAPTCYP1A2
SCHEMBL8049856 0.67 NPC1 (0.37) PDGFRBMEN1KMT2ATP53MAPT
SCHEMBL3732169 0.66 RXFP1 (0.36) RXFP1ELANETSHRHSD17B10MEN1
SCHEMBL3859298 0.63 NPC1 (0.41) RXFP1PDGFRBHSD17B10MEN1KMT2A

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
Send feedback