SCHEMBL25826783

SCHEMBL25826783

Cc1cc(O)cc2cccc(CF)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HSP90AA1 P07900 1/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 1/20 0.33
DNMT1 P26358 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
MCL1 Q07820 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
BRD1 O95696 1/20 0.33
TAF1 P21675 1/20 0.33
BRPF1 P55201 1/20 0.33
IDH1 O75874 1/20 0.33
AKR1B1 P15121 1/20 0.33
MAOA P21397 2/20 0.33
TLR8 Q9NR97 1/20 0.33
HTR2A P28223 1/20 0.33
NQO2 P16083 1/20 0.32
CYP3A4 P08684 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
SCHEMBL25811637 0.87 HTR2A (0.37) MEN1KMT2AHSP90AA1ATMALDH1A1
SCHEMBL24175936 0.84 GABRA1 (0.45) MEN1KMT2AHSP90AA1ATMBRD1
SCHEMBL25811575 0.79 ALDH1A1 (0.33) MEN1KMT2AALDH1A1DNMT1CACNA1B
SCHEMBL25811577 0.79 GABRA1 (0.36) MEN1KMT2AHSP90AA1ALDH1A1DNMT1
SCHEMBL10306619 0.77 MEN1 (0.50) MEN1KMT2AHSP90AA1ATMALDH1A1
SCHEMBL24652317 0.77 MEN1 (0.46) MEN1KMT2AHSP90AA1ATMALDH1A1
SCHEMBL9231524 0.76 KMT2A (0.54) MEN1KMT2AHSP90AA1ATMALDH1A1
SCHEMBL25962670 0.74 CYP1A2 (0.42) MEN1KMT2AHSP90AA1ATMALDH1A1
SCHEMBL25352843 0.73 MEN1 (0.41) MEN1KMT2AHSP90AA1ATMALDH1A1
SCHEMBL24176119 0.73 MAOA (0.45) MEN1KMT2AHSP90AA1ATMALDH1A1

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
WO-2023125989-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF 上海医药集团股份有限公司 2023-07-06 WO disclosed