SCHEMBL30980971

SCHEMBL30980971

Cc1cc(N2CCCOC2=O)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IDH1 O75874 1/20 0.38
SCN9A Q15858 1/20 0.38
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
KCNQ2 O43526 1/20 0.36
PARP1 P09874 1/20 0.36
CMA1 P23946 4/20 0.36
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL10192199 0.91 IDH1 (0.43) TSHRSMN1; SMN2IDH1SCN9APARP1
SCHEMBL8303857 0.88 TP53 (0.39) KDM4EALDH1A1KMT2ASMN1; SMN2SCN9A
SCHEMBL30980982 0.79 PIK3CA (0.44) KDM4EALDH1A1KMT2ATSHRPIK3CA
SCHEMBL8256507 0.79 SCN9A (0.43) ALDH1A1SMN1; SMN2IDH1SCN9APARP1
SCHEMBL18630756 0.78 MAPT (0.47) KDM4EALDH1A1KMT2ASMN1; SMN2GAA
SCHEMBL8303458 0.78 DGAT1 (0.43) CMA1KDM1AF10
SCHEMBL8349969 0.76 BPTF (0.43) TSHRSCN9APARP1CMA1PIK3CA
SCHEMBL4090586 0.75 F10 (0.36) ALDH1A1KMT2AHTR1AHTR1DHTR1B
SCHEMBL15628295 0.74 TNKS (0.40) ALDH1A1CMA1KDM1AF10
SCHEMBL30980973 0.74 PIK3CD (0.39) HTR1AHTR1DHTR1BGRIN1GRIN2B

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-112574189-B EP300/CBP inhibitor 海创药业股份有限公司 2024-05-31 CN disclosed