SCHEMBL10401410

SCHEMBL10401410

COc1ccc(OCCNC(=O)OCCN(C(=O)c2cncc(Br)c2)c2ccccc2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HTT P42858 1/20 0.39
HSP90AA1 P07900 1/20 0.39
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MCHR1 Q99705 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
SCHEMBL9524002 0.83 NPC1 (0.44) LMNANPC1RAB9AKMT2ANPSR1
SCHEMBL9525705 0.83 NPC1 (0.47) LMNANPC1RAB9AKMT2ANPSR1
SCHEMBL9524110 0.82 NPC1 (0.46) LMNANPC1RAB9AKMT2ANPSR1
SCHEMBL9525476 0.81 POLB (0.46) LMNANPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL9525183 0.81 POLB (0.45) LMNANPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL9526290 0.81 NPC1 (0.44) LMNANPC1RAB9AKMT2ANPSR1
SCHEMBL9525526 0.80 POLB (0.44) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9525766 0.79 POLB (0.54) LMNANPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL9524147 0.79 KDM4E (0.44) LMNANPC1RAB9AKMT2AALDH1A1
SCHEMBL9525255 0.79 KDM4E (0.44) KMT2ASMN1; SMN2ALDH1A1KDM4EHPGD

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-4962113-A PLATELET ACTIVATING FACTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1990-10-09 US disclosed