SCHEMBL19964944

SCHEMBL19964944

Cc1c(C(=O)O)cc2c(Cl)ccn2c1C(C)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EED O75530 9/20 0.43
RBBP4 Q09028 9/20 0.43
SUZ12 Q15022 9/20 0.43
EZH2 Q15910 9/20 0.43
AEBP2 Q6ZN18 9/20 0.43
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
P2RX7 Q99572 1/20 0.36
PIK3C2B O00750 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
AVPR1A P37288 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL19964671 0.89 EED (0.46) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964943 0.87 EED (0.41) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21251364 0.87 EED (0.43) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964531 0.84 EED (0.48) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL28886549 0.83 EED (0.48) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964960 0.81 EED (0.47) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL28886541 0.81 EED (0.47) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964849 0.80 EED (0.46) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964860 0.80 EED (0.51) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964901 0.80 EED (0.65) EEDRBBP4SUZ12EZH2AEBP2

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
EP-3524602-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Haihe Pharmaceutical Co., Ltd. (CN) 2019-08-14 EP disclosed
WO-2018045971-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海海和药物研究开发有限公司 2018-03-15 WO disclosed