SCHEMBL28564491

SCHEMBL28564491

Cc1ccc(C(=O)NC2CCCCN2)cc1.[LiH]

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.59
NPC1 O15118 3/20 0.59
CYP1A2 P05177 1/20 0.59
HPGD P15428 1/20 0.59
CYP2C19 P33261 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
SSTR3 P32745 1/20 0.44
USP2 O75604 1/20 0.44
ADORA1 P30542 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL28565006 0.95 RAB9A (0.56) RAB9ANPC1CYP1A2HPGDCYP2C19
SCHEMBL20810429 0.81 RAB9A (0.42) RAB9ANPC1CYP1A2HPGDCYP2C19
SCHEMBL25143774 0.78 DDB1 (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL12460021 0.76 RAB9A (0.96) RAB9ANPC1CYP1A2HPGDCYP2C19
SCHEMBL4693583 0.75 TMIGD3 (0.40) RAB9ANPC1CYP1A2HPGDCYP2C19
SCHEMBL178426 0.74 NPC1 (1.00) RAB9ANPC1CYP1A2HPGDCYP2C19
SCHEMBL3455803 0.74 NPC1 (1.00) RAB9ANPC1CYP1A2HPGDCYP2C19
SCHEMBL15063510 0.74 RAB9A (1.00) RAB9ANPC1CYP1A2HPGDCYP2C19
SCHEMBL17888386 0.74 SCN9A (0.58) RAB9ANPC1CYP1A2HPGDCYP2C19
SCHEMBL15087629 0.74 RAB9A (1.00) RAB9ANPC1CYP1A2HPGDCYP2C19

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
CN-109563180-B Modified conjugated diene polymer, method for producing same, rubber composition, and tire 旭化成株式会社 2022-01-07 CN disclosed
CN-107250172-B Modified conjugated diene polymer, method for producing same, and modified conjugated diene polymer composition 旭化成株式会社 2021-04-09 CN disclosed