SCHEMBL16425630

SCHEMBL16425630

N=c1ccc2c(-c3ccc(F)cc3)c3ccc(N4CCCCC4)cc3oc-2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MAOB P27338 2/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ USP2 O75604 2/20 0.34
▸ ATM Q13315 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ PLEC Q15149 1/20 0.34
▸ RPS6KA3 P51812 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ CFTR P13569 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ GOPC Q9HD26 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 2/20 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
SCHEMBL16425660 0.79 MAOB (0.45) NPC1RAB9AMAOBABCB1USP2
SCHEMBL16425628 0.79 ABCB1 (0.53) MAOBABCB1USP2ATMMEN1
SCHEMBL10013290 0.76 PSMB8 (0.39) NPC1RAB9AATMS1PR1S1PR3
SCHEMBL16425637 0.73 POLB (0.39) MAOBABCB1USP2ATMMEN1
SCHEMBL25274069 0.73 MEN1 (0.40) ABCB1USP2ATMMEN1KMT2A
SCHEMBL13425726 0.72 NPC1 (0.47) NPC1RAB9AMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL31237595 0.72 S1PR1 (0.33) NPC1RAB9AUSP2ATMMEN1
SCHEMBL21648620 0.71 ABCB1 (0.57) NPC1RAB9AABCB1USP2ATM
SCHEMBL21648600 0.70 MEN1 (0.43) USP2ATMMEN1KMT2APOLB
SCHEMBL17754037 0.70 MEN1 (0.50) USP2ATMMEN1KMT2APOLB

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
US-9335323-B2 Method for sorting of pluripotent cells KYOTO UNIVERSITY (JP) 2016-05-10 — — US disclosed
US-20150031062-A1 METHOD FOR SORTING OF PLURIPOTENT CELLS KYOTO UNIVERSITY (JP) 2015-01-29 — — US disclosed
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