SCHEMBL7656000

SCHEMBL7656000

N=C(N)c1ccc(C(CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 1/20 0.56
TEAD4 Q15561 1/20 0.56
ALDH1A1 P00352 9/20 0.49
HTT P42858 2/20 0.49
GPR183 P32249 2/20 0.49
GAA P10253 2/20 0.49
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL7656013 1.00 YAP1 (0.56) YAP1TEAD4ALDH1A1HTTGPR183
SCHEMBL7654785 0.83 YAP1 (0.61) YAP1TEAD4ALDH1A1HTTGPR183
SCHEMBL7076859 0.83 YAP1 (0.61) YAP1TEAD4ALDH1A1HTTGPR183
SCHEMBL7071884 0.81 ALDH1A1 (0.68) YAP1TEAD4ALDH1A1HTTGPR183
SCHEMBL7071881 0.81 ALDH1A1 (0.68) YAP1TEAD4ALDH1A1HTTGPR183
SCHEMBL7649426 0.80 ALDH1A1 (0.51) ALDH1A1GAALMNASMN1; SMN2KMT2A
Acetic Acid SCHEMBL27525184 0.79 ALDH1A1 (0.64) YAP1TEAD4ALDH1A1HTTGPR183
SCHEMBL7650417 0.77 PKM (0.61) ALDH1A1HTTGAALMNASMN1; SMN2
SCHEMBL7649428 0.77 ALDH1A1 (0.53) YAP1TEAD4ALDH1A1HTTGPR183
SCHEMBL7649424 0.77 ALDH1A1 (0.53) YAP1TEAD4ALDH1A1HTTGPR183

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
US-6492368-B1 Benzamidine derivatives as factor XA inhibitors MERCK PATENT GMBH (DE) 2002-12-10 US disclosed