SCHEMBL27965643

SCHEMBL27965643

Oc1cccc2ccc(-c3nc4ccccc4[nH]3)nc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.65
NPC1 O15118 7/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
KDM4E B2RXH2 5/20 0.65
TP53 P04637 4/20 0.65
PKM P14618 3/20 0.65
ALDH1A1 P00352 3/20 0.65
HSD17B10 Q99714 2/20 0.65
HPGD P15428 2/20 0.65
ALOX15 P16050 2/20 0.65
TSHR P16473 2/20 0.65
F7 P08709 1/20 0.54
NPSR1 Q6W5P4 2/20 0.51
ABCB11 O95342 1/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
CASP3 P42574 1/20 0.49
ATM Q13315 1/20 0.49
SENP8 Q96LD8 1/20 0.49

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
SCHEMBL31315035 0.86 RAB9A (0.74) RAB9ANPC1SMN1; SMN2KDM4ETP53
SCHEMBL31315034 0.86 RAB9A (0.74) RAB9ANPC1SMN1; SMN2KDM4ETP53
SCHEMBL16228089 0.82 RAB9A (0.56) RAB9ANPC1SMN1; SMN2KDM4ETP53
SCHEMBL29563561 0.79 NPC1 (0.69) RAB9ANPC1SMN1; SMN2KDM4ETP53
SCHEMBL12075548 0.79 NPC1 (0.65) RAB9ANPC1SMN1; SMN2KDM4ETP53
SCHEMBL914225 0.79 NPC1 (1.00) RAB9ANPC1SMN1; SMN2KDM4ETP53
SCHEMBL31595811 0.79 NPC1 (1.00) RAB9ANPC1SMN1; SMN2KDM4ETP53
SCHEMBL14091615 0.79 PDE5A (0.58) RAB9ANPC1SMN1; SMN2KDM4ETP53
SCHEMBL22901570 0.79 NPC1 (0.60) RAB9ANPC1SMN1; SMN2KDM4ETP53
SCHEMBL14091330 0.79 METAP2 (0.46) RAB9ANPC1SMN1; SMN2KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103772439-B A kind of quinoline benzimidazole Group IVB list half metallocene and its preparation method and application and the method for olefinic polyreaction 中国石油化工股份有限公司 2016-07-13 CN claimed
CN-103772439-B A kind of quinoline benzimidazole Group IVB list half metallocene and its preparation method and application and the method for olefinic polyreaction 中国石油化工股份有限公司 2016-07-13 CN disclosed
CN-103772439-A Quinoline-benzimidazole IVB group mono-Cp complex, preparation method and application thereof and method for polymerization reaction of olefin CHINA PETROLEUM & CHEMICAL 2014-05-07 CN disclosed