SCHEMBL27749271

SCHEMBL27749271

COC(=O)c1ccc(Cl)cc1Nc1cc(C)nn1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.53
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HPGD P15428 5/20 0.46
ALDH1A1 P00352 4/20 0.46
ABL1 P00519 1/20 0.46
POLB P06746 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 2/20 0.42
TSHR P16473 1/20 0.42
NTRK1 P04629 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 1/20 0.40
PABPC1 P11940 1/20 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
SCHEMBL27728861 0.90 KMT2A (0.51) TP53MEN1KMT2AHPGDALDH1A1
SCHEMBL11706158 0.87 MEN1 (0.53) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL27728859 0.83 ALDH1A1 (0.65) TP53MEN1KMT2AHPGDALDH1A1
Hydrochloric Acid SCHEMBL27749316 0.82 ALDH1A1 (0.63) TP53MEN1KMT2AHPGDALDH1A1
SCHEMBL27728860 0.78 HTT (0.57) TP53MEN1KMT2AHPGDALDH1A1
Hydrochloric Acid SCHEMBL27729053 0.77 HTT (0.56) TP53MEN1KMT2AHPGDALDH1A1
SCHEMBL27749269 0.75 TP53 (0.43) TP53MEN1KMT2AHPGDALDH1A1
Hydrochloric Acid SCHEMBL27749272 0.74 TP53 (0.42) TP53MEN1KMT2AHPGDALDH1A1
SCHEMBL11707284 0.74 CLCN2 (0.47) MEN1KMT2APOLBSMN1; SMN2HTT
SCHEMBL11711434 0.72 MEN1 (0.46) TP53MEN1KMT2AHPGDSMN1; SMN2

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-100448869-C Anilinopyrazole derivatives for the treatment of diabetes BAYER PHARMACEUTICALS CORP (US) 2009-01-07 CN claimed