SCHEMBL7385654

SCHEMBL7385654

CN1C(=O)C(CC(=O)Cl)c2cc(Br)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TP53 P04637 2/20 0.46
NQO2 P16083 2/20 0.43
ALDH1A1 P00352 4/20 0.42
TSHR P16473 4/20 0.42
CASP2 P42575 1/20 0.40
TDP2 O95551 1/20 0.38
CFTR P13569 1/20 0.38
CASP6 P55212 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
GOPC Q9HD26 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
WDR5 P61964 1/20 0.36
CUL4A Q13619 1/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL7384945 0.81 ALDH1A1 (0.47) NQO2ALDH1A1TSHRHKDC1CYP2C19
SCHEMBL22667212 0.81 MEN1 (0.54) MEN1KMT2ATP53NQO2ALDH1A1
SCHEMBL7384499 0.80 NQO2 (0.48) MEN1KMT2ANQO2ALDH1A1TDP2
SCHEMBL7383673 0.80 CDC25A (0.48) MEN1KMT2ANQO2ALDH1A1MAPT
SCHEMBL30344976 0.76 MEN1 (0.49) MEN1KMT2ATP53NQO2ALDH1A1
SCHEMBL7387647 0.74 KDM4C (0.50) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL24148135 0.72 MEN1 (0.57) MEN1KMT2ATP53ALDH1A1TSHR
SCHEMBL32675619 0.72 MEN1 (0.54) MEN1KMT2ATP53ALDH1A1TSHR
SCHEMBL9685018 0.71 AKR1B1 (0.55) MEN1KMT2ATP53NQO2ALDH1A1
SCHEMBL1130214 0.68 CDC25A (0.57) MEN1KMT2ATP53ALDH1A1TSHR

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
EP-0490263-A1 Alpha-oxoacetamide derivatives SYNTEX (U.S.A.) INC. (US) 1992-06-17 EP disclosed