SCHEMBL28218656

SCHEMBL28218656

O=CNc1cccc2ccccc12.[H+]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.55
KDM4E B2RXH2 5/20 0.50
GAA P10253 2/20 0.50
KEAP1 Q14145 1/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 3/20 0.48
TSHR P16473 3/20 0.48
CYP3A4 P08684 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
CDC25B P30305 1/20 0.48
ATM Q13315 1/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
RECQL P46063 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL87813 0.98 PABPC1 (0.56) PABPC1KDM4EGAAKEAP1ALDH1A1
Hydrochloric Acid SCHEMBL28740125 0.96 PABPC1 (0.55) PABPC1KDM4EGAAKEAP1ALDH1A1
SCHEMBL17054695 0.86 HPRT1 (0.52) PABPC1KDM4EGAAKEAP1ALDH1A1
SCHEMBL29506423 0.84 PABPC1 (0.59) PABPC1KDM4EGAAKEAP1ALDH1A1
SCHEMBL15453221 0.84 PABPC1 (0.59) PABPC1KDM4EGAAKEAP1ALDH1A1
SCHEMBL16319787 0.82 PABPC1 (0.54) PABPC1KDM4EGAAKEAP1ALDH1A1
SCHEMBL5568841 0.80 ALDH1A1 (0.50) PABPC1KDM4EGAAKEAP1ALDH1A1
SCHEMBL11537315 0.80 PABPC1 (0.64) PABPC1KDM4EGAAKEAP1ALDH1A1
SCHEMBL28163867 0.78 ROCK1 (0.54) KDM4EALDH1A1HPGDCYP3A4CYP1A2
SCHEMBL15949880 0.78 KDM4E (0.48) PABPC1KDM4EGAAKEAP1ALDH1A1

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-108752236-A SHIP1 conditioning agents and relative method 阿奎诺克斯药物(加拿大)公司 2018-11-06 CN disclosed
CN-105026375-B SHIP1 modulators and methods related thereto 阿奎诺克斯药物(加拿大)公司 2018-06-05 CN disclosed