SCHEMBL29975974

SCHEMBL29975974

CCCOc1cccc(CBr)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
DHFR P00374 1/20 0.50
MEP1B Q16820 1/20 0.49
BCHE P06276 4/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP2D6 P10635 2/20 0.45
TSHR P16473 2/20 0.45
GGPS1 O95749 1/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2B P41595 1/20 0.44
ROCK2 O75116 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
ROCK1 Q13464 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
MAPK1 P28482 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
SCHEMBL2932600 1.00 KMT2A (0.51) KMT2ADHFRMEP1BBCHEKDM4E
SCHEMBL13541357 0.91 TSHR (0.51) DHFRCYP2D6TSHRGGPS1
SCHEMBL13672772 0.88 MAOB (0.46) BCHEKDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL9308504 0.88 TSHR (0.61) DHFRCYP2D6TSHRGGPS1
SCHEMBL31261689 0.88 TSHR (0.61) DHFRCYP2D6TSHRGGPS1
SCHEMBL2937407 0.85 TP53 (0.55) DHFRBCHEKDM4EALDH1A1SMN1; SMN2
SCHEMBL59488 0.85 KDM4E (0.61) KMT2ADHFRKDM4EALDH1A1SMN1; SMN2
SCHEMBL29976345 0.85 TP53 (0.55) DHFRBCHEKDM4EALDH1A1SMN1; SMN2
SCHEMBL7254138 0.85 PRSS1 (0.47) DHFRKDM4EALDH1A1TSHRGGPS1
SCHEMBL2062788 0.84 KDM4E (0.50) BCHEKDM4EALDH1A1SMN1; SMN2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110023292-B Apoptosis inhibitors 北京生命科学研究所 2022-10-04 CN disclosed