SCHEMBL3121502

SCHEMBL3121502

O=C(SCCOc1[c]cccc1)N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 1/20 0.40
FKBP1A P62942 3/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL3119172 0.94 NPC1 (0.41) NPC1RAB9ASMN1; SMN2USP2TP53
SCHEMBL3119026 0.81 GAA (0.55) NPC1RAB9ASMN1; SMN2USP2TP53
SCHEMBL3130513 0.80 USP2 (0.56) NPC1RAB9ASMN1; SMN2USP2FKBP1A
SCHEMBL3129790 0.78 MEN1 (0.35) NPC1RAB9ASMN1; SMN2USP2KMT2A
SCHEMBL7380150 0.74 TP53 (0.64) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL3125826 0.74 KDM4E (0.35) NPC1RAB9ASMN1; SMN2USP2KMT2A
SCHEMBL826085 0.73 NPC1 (0.54) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL3121500 0.73 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL3119167 0.73 NPSR1 (0.41) NPC1RAB9ASMN1; SMN2USP2TP53
SCHEMBL2183432 0.72 KDM4E (0.56) SMN1; SMN2USP2ALDH1A1KDM4EPOLB

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
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO claimed
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO disclosed