SCHEMBL2776271

SCHEMBL2776271

CCc1ccc(N)c(C)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
POLB P06746 3/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
PIK3CA P42336 1/20 0.40
HTT P42858 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL8065484 0.83 CYP3A4 (0.42) ALDH1A1POLBCYP3A4MAPTTSHR
SCHEMBL3101877 0.83 CYP3A4 (0.42) ALDH1A1POLBCYP3A4MAPTTSHR
SCHEMBL8977704 0.81 GABRA1 (0.36) ALDH1A1POLBMAPTTSHRHTT
SCHEMBL11049256 0.81 ATP4A (0.41) ALDH1A1POLBMAPTHTTTDP1
SCHEMBL27952543 0.81 ALDH1A1 (0.40) ALDH1A1POLBCYP3A4MAPTTSHR
SCHEMBL2772114 0.79 ALDH1A1 (0.43) ALDH1A1POLBCYP3A4MAPTTSHR
SCHEMBL8538345 0.79 CYP3A4 (0.39) ALDH1A1POLBCYP3A4TSHRPIK3CA
SCHEMBL17998039 0.79 CYP3A4 (0.39) ALDH1A1POLBCYP3A4TSHRPIK3CA
SCHEMBL12797849 0.79 POLB (0.41) ALDH1A1POLBMAPTHTTTP53
SCHEMBL10342533 0.79 SKP2 (0.47) ALDH1A1CYP3A4MAPTTSHRPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119019684-A Thermally-induced cross-linked phenolphthalein-based polybenzoxazole gas separation membrane material and preparation method thereof 中国石油化工股份有限公司 2024-11-26 CN claimed
CN-119019684-A Thermally-induced cross-linked phenolphthalein-based polybenzoxazole gas separation membrane material and preparation method thereof 中国石油化工股份有限公司 2024-11-26 CN disclosed
CN-109562593-A Multilayer optical compensation film with reverse wavelength dispersion 阿克隆聚合物系统有限公司 2019-04-02 CN disclosed
CN-108219379-A A kind of integrated circuit plate modified epoxy and preparation method thereof 合肥东恒锐电子科技有限公司 2018-06-29 CN disclosed
US-8197359-B2 Golf ball with single layer core having specific regions of varying hardness ACUSHNET COMPANY (US) 2012-06-12 US disclosed
US-20100331117-A1 GOLF BALL WITH SINGLE LAYER CORE HAVING SPECIFIC REGIONS OF VARYING HARDNESS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2010-12-30 US disclosed
EP-0705863-A1 Two stage melt polymerization process for making polybenzimidazoles HOECHST CELANESE CORPORATION (US) 1996-04-10 EP disclosed
US-4895928-A AROMATIC POLYAMIDES AMOCO CORPORATION (US) 1990-01-23 US disclosed
US-4717764-A Two stage melt polymerization process for making polymers containing aromatic amide groups CELANESE CORPORATION (US) 1988-01-05 US disclosed