SCHEMBL20041908

SCHEMBL20041908

COc1ccc(C2CC(=O)NC23CCCC3)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
MAP2K1 Q02750 1/20 0.42
GAA P10253 4/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
HPSE Q9Y251 2/20 0.39
NPC1 O15118 1/20 0.38
PDE7A Q13946 2/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL19559384 1.00 DDB1 (0.44) DDB1CRBNMAP2K1GAAALDH1A1
SCHEMBL19559433 0.99 DDB1 (0.43) DDB1CRBNMAP2K1GAAALDH1A1
SCHEMBL18590511 0.83 SMN1; SMN2 (0.40) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL19862623 0.83 SMN1; SMN2 (0.40) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL18590513 0.82 POLB (0.42) GAASMN1; SMN2KMT2ANPC1PDE7A
SCHEMBL19862626 0.82 POLB (0.42) GAASMN1; SMN2KMT2ANPC1PDE7A
SCHEMBL26976633 0.80 DDB1 (0.48) DDB1CRBNMAP2K1GAAALDH1A1
SCHEMBL19559402 0.80 DDB1 (0.48) DDB1CRBNMAP2K1GAAALDH1A1
SCHEMBL8642136 0.71 HPSE (0.41) DDB1CRBNGAAALDH1A1TSHR
SCHEMBL22804573 0.70 MEN1 (0.46) GAAALDH1A1SMN1; SMN2TSHRMEN1

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-3305763-A1 DEUTERATED OR ISOTOPICALLY LABELED UREA DERIVATIVES OR PHARMACOLOGICALLY ACCEPTABLE SALTS THEREOF USEFUL AS FPRL-1 AGONISTS Kyorin Pharmaceutical Co., Ltd. (JP) 2018-04-11 EP disclosed