SCHEMBL8430657

SCHEMBL8430657

CC(C)(C)N(C(=O)CBr)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
AKT1 P31749 1/20 0.43
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CCND1 P24385 1/20 0.40
CDK2 P24941 1/20 0.40
CDK7 P50613 1/20 0.40
CCNH P51946 1/20 0.40
CCNA1 P78396 1/20 0.40
CDK6 Q00534 1/20 0.40
ALDH1A1 P00352 5/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TSHR P16473 2/20 0.40

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
SCHEMBL7233113 0.83 KMT2A (0.46) KMT2AMEN1SMN1; SMN2CYP2C19CYP3A4
SCHEMBL7034982 0.78 KMT2A (0.47) KMT2AMEN1SMN1; SMN2CYP2C19CYP3A4
SCHEMBL10959895 0.78 NPSR1 (0.50) KMT2AMEN1SMN1; SMN2CYP2C19CYP3A4
SCHEMBL6626142 0.76 KMT2A (0.46) KMT2AMEN1SMN1; SMN2CYP2C19CYP3A4
SCHEMBL10691887 0.76 ALDH1A1 (0.43) KMT2AMEN1SMN1; SMN2CYP2C19CYP3A4
SCHEMBL8820687 0.75 ELANE (0.41) KMT2ASMN1; SMN2AKT1ALDH1A1TSHR
SCHEMBL2189058 0.75 KMT2A (0.59) KMT2AMEN1CYP2C19CYP3A4CYP2C9
SCHEMBL11437979 0.75 KMT2A (0.44) KMT2AMEN1SMN1; SMN2CYP2C19CYP3A4
SCHEMBL9435677 0.75 KMT2A (0.45) KMT2AMEN1SMN1; SMN2CYP2C19CYP3A4
SCHEMBL4227731 0.74 ALDH1A1 (0.63) KMT2ASMN1; SMN2CDK1CCNB1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859007-A TREATMENT OF DIABETES, OBESITY GLAXO WELLCOME INC. (US) 1999-01-12 US disclosed
EP-0755384-A1 CCK OR GASTRIN MODULATING 1,5 BENZODIAZEPINES DERIVATIVES GLAXO WELLCOME INC. (US) 1997-01-29 EP disclosed
WO-1995028391-A1 CCK OR GASTRIN MODULATING 1,5 BENZODIAZEPINES DERIVATIVES GLAXO WELLCOME INC. (US) 1995-10-26 WO disclosed