SCHEMBL9296249

SCHEMBL9296249

CC(C)Cc1ccc2[nH]c(-c3ccc(-c4nc5cc(CC(C)C)ccc5[nH]4)cc3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.46
NT5E P21589 1/20 0.46
XDH P47989 1/20 0.43
NPBWR1 P48145 3/20 0.42
HPSE Q9Y251 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HDAC6 Q9UBN7 2/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 2/20 0.41
GFER P55789 2/20 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
SCHEMBL9095566 0.93 NPC1 (0.53) NPBWR1MEN1KMT2ANPC1RAB9A
SCHEMBL9296252 0.88 NT5E (0.60) SLC2A1NT5ENPBWR1HPSEMEN1
SCHEMBL31289528 0.87 MEN1 (0.54) NT5EXDHHPSEMEN1KMT2A
SCHEMBL18656067 0.81 MAPT (0.55) XDHMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL9095571 0.81 NPC1 (0.56) SLC2A1NT5ENPBWR1MEN1KMT2A
SCHEMBL23800775 0.79 XDH (0.50) XDHMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL20178503 0.79 LMNA (0.53) XDHMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL9295726 0.77 MPL (0.57) SLC2A1NT5ENPBWR1NPC1RAB9A
SCHEMBL14684214 0.76 NT5E (0.61) NT5ENPBWR1HPSEMEN1KMT2A
SCHEMBL18656068 0.76 KDM4E (0.41) XDHKMT2ANPC1RAB9AKDM4E

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-0581955-A1 USE OF BENZIMIDAZOLE DERIVATIVES AS PROTECTIVE LIGHT FILTERS. MERCK PATENT GMBH (DE) 1994-02-09 EP disclosed
WO-1993015712-A1 USE OF BENZIMIDAZOLE DERIVATIVES AS PROTECTIVE LIGHT FILTERS MERCK PATENT GMBH (DE) 1993-08-19 WO disclosed