SCHEMBL7654785

SCHEMBL7654785

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 1/20 0.61
TEAD4 Q15561 1/20 0.61
GPR183 P32249 2/20 0.59
ALDH1A1 P00352 9/20 0.54
LMNA P02545 5/20 0.54
GAA P10253 2/20 0.54
HTT P42858 2/20 0.53
KMT2A Q03164 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 4/20 0.51
F2 P00734 1/20 0.51
PRSS1 P07477 1/20 0.51
TPSAB1 Q15661 1/20 0.51
TPSD1 Q9BZJ3 1/20 0.51
TPSG1 Q9NRR2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.49
TSHR P16473 1/20 0.49
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL7076859 1.00 YAP1 (0.61) YAP1TEAD4GPR183ALDH1A1LMNA
SCHEMBL7071884 0.85 ALDH1A1 (0.68) YAP1TEAD4GPR183ALDH1A1LMNA
SCHEMBL7071881 0.85 ALDH1A1 (0.68) YAP1TEAD4GPR183ALDH1A1LMNA
SCHEMBL7656000 0.83 YAP1 (0.56) YAP1TEAD4GPR183ALDH1A1LMNA
SCHEMBL7656013 0.83 YAP1 (0.56) YAP1TEAD4GPR183ALDH1A1LMNA
Acetic Acid SCHEMBL27525184 0.83 ALDH1A1 (0.64) YAP1TEAD4GPR183ALDH1A1LMNA
SCHEMBL7074851 0.81 GAA (0.63) ALDH1A1LMNAGAAKMT2AF2
SCHEMBL7649428 0.81 ALDH1A1 (0.53) YAP1TEAD4GPR183ALDH1A1LMNA
SCHEMBL7649424 0.81 ALDH1A1 (0.53) YAP1TEAD4GPR183ALDH1A1LMNA
SCHEMBL7075147 0.80 RAB9A (0.60) GPR183ALDH1A1LMNAGAAKMT2A

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