SCHEMBL15225861

SCHEMBL15225861

CC(C)(C)C(OC(=O)NCC1CCCO1)c1ccc(-c2cc3nccc(Cl)c3s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.41
▸ HPGD P15428 9/20 0.40
▸ ALDH1A1 P00352 8/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL3565107 0.79 STK17B (0.38) HPGDALDH1A1KDM4EPKMMAPK1
SCHEMBL15225860 0.76 SLC6A3 (0.35) SMN1; SMN2NPC1RAB9ATDP1KMT2A
SCHEMBL5089101 0.75 STK17B (0.36) ALDH1A1KDM4ESMN1; SMN2POLBLMNA
SCHEMBL3565103 0.74 POLB (0.45) NPC1RAB9ATP53POLBMAPT
SCHEMBL3626959 0.73 POLB (0.47) TP53POLBMAPT
SCHEMBL15225858 0.69 EGFR (0.35) MAPK1SMN1; SMN2
SCHEMBL2533961 0.63 MCHR1 (0.32) NPC1RAB9ATDP1KMT2A
SCHEMBL5242191 0.60 CDC7 (0.43) KDM4ESMN1; SMN2NPC1RAB9APOLB
SCHEMBL17871637 0.60 HPGD (0.64) HPGDALDH1A1KDM4EPKMHSD17B10
SCHEMBL3568858 0.60 MCHR1 (0.53) —

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-1781664-B1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC (CA) 2013-09-04 — — EP disclosed
Send feedback