SCHEMBL5700835

SCHEMBL5700835

COC(=O)C[C@@H](NC(=O)c1cc(C)on1)c1ccc(N)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SGPL1 O95470 14/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.41
TACR3 P29371 1/20 0.41

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
SCHEMBL5700842 1.00 SGPL1 (0.49) SGPL1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4033089 0.89 SGPL1 (0.44) SGPL1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL6589134 0.88 CYP26A1 (0.53) SGPL1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL5700919 0.77 P2RX7 (0.48) MEN1KMT2ATACR3
SCHEMBL4027130 0.76 RAB9A (0.46) SGPL1MEN1KMT2AALDH1A1NPC1
SCHEMBL5700864 0.76 KMT2A (0.44) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL5700869 0.76 KMT2A (0.44) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL5700932 0.75 MEN1 (0.60) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL5700925 0.75 MEN1 (0.60) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL5701002 0.74 MAPT (0.49) MEN1KMT2ACYP1A2CYP3A4CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027328-B1 SUBSTITUTED ANILIDES AVENTIS PHARMA LTD (GB) 2006-08-23 EP disclosed
US-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US disclosed