SCHEMBL8628376

SCHEMBL8628376

Cc1ccc(-c2cccc3[nH]c(-c4ccc(Br)c(C)c4)nc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 14/20 0.49
▸ GAA P10253 14/20 0.49
▸ SI P14410 14/20 0.49
▸ MGAM2 Q2M2H8 14/20 0.49
▸ KDM4E B2RXH2 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ TNKS O95271 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ TNKS2 Q9H2K2 1/20 0.41
▸ HPSE Q9Y251 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ WNT1 P04628 1/20 0.40
▸ TGFBR1 P36897 1/20 0.40

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
SCHEMBL8818948 0.81 DHODH (0.55) MGAMGAASIMGAM2NPC1
SCHEMBL8628371 0.80 NPC1 (0.44) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8817536 0.77 NR1I3 (0.58) MGAMGAASIMGAM2NPC1
SCHEMBL5051916 0.77 MGAM (0.56) MGAMGAASIMGAM2PARP1
SCHEMBL6056826 0.74 MGAM (0.77) MGAMGAASIMGAM2KDM4E
SCHEMBL4457030 0.74 DHODH (0.53) MGAMGAASIMGAM2KDM4E
SCHEMBL17263813 0.74 PARP1 (0.47) MGAMGAASIMGAM2KDM4E
SCHEMBL9346643 0.74 GAA (0.54) MGAMGAASIMGAM2KDM4E
SCHEMBL7146754 0.73 DHODH (0.62) MGAMGAASIMGAM2NPC1
SCHEMBL29056652 0.72 PTGES (0.56) MGAMGAASIMGAM2KDM4E

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-0818562-A1 Composition for treating copper and copper alloy surfaces and method for the surface treatment MEC CO., Ltd. (JP) 1998-01-14 — — EP disclosed
Send feedback