SCHEMBL6970828

SCHEMBL6970828

CC(=O)NC(C([O])=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.46
MTNR1B P49286 7/20 0.46
SRC P12931 1/20 0.45
POLB P06746 1/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
GLS O94925 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.42
CTRB1 P17538 2/20 0.42
NAPRT Q6XQN6 1/20 0.42

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
SCHEMBL4250144 0.86 SRC (0.52) MTNR1AMTNR1BSRCPOLBALDH1A1
SCHEMBL627377 0.86 SRC (0.52) MTNR1AMTNR1BSRCPOLBALDH1A1
SCHEMBL5744468 0.86 TACR3 (0.48) MTNR1AMTNR1BSRCPOLBHSD17B10
SCHEMBL890060 0.86 TACR3 (0.48) MTNR1AMTNR1BSRCPOLBHSD17B10
SCHEMBL3376625 0.86 SRC (0.52) MTNR1AMTNR1BSRCPOLBALDH1A1
SCHEMBL18610229 0.86 TACR3 (0.48) MTNR1AMTNR1BSRCPOLBHSD17B10
SCHEMBL5936861 0.84 SRC (0.50) MTNR1AMTNR1BSRCALDH1A1KMT2A
SCHEMBL19658438 0.82 LMNA (0.46) MTNR1AMTNR1BSRCPOLB
SCHEMBL10650407 0.82 MTNR1A (0.44) MTNR1AMTNR1BSRCPOLBHSD17B10
SCHEMBL22361550 0.82 MTNR1A (0.44) MTNR1AMTNR1BSRCPOLBHSD17B10

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed