SCHEMBL9296252

SCHEMBL9296252

CC(C)Cc1ccc2nc(-c3ccc(-c4nc5ccc(CC(C)C)cc5[nH]4)cc3)[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.60
SLC2A1 P11166 1/20 0.59
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
RXFP1 Q9HBX9 2/20 0.53
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 3/20 0.51
KDM4E B2RXH2 2/20 0.51
GLA P06280 2/20 0.51
MAPT P10636 2/20 0.51
RECQL P46063 2/20 0.51
RAB9A P51151 2/20 0.51
GAA P10253 1/20 0.51
GFER P55789 1/20 0.51
NPBWR1 P48145 4/20 0.51
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49

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
SCHEMBL9095571 0.93 NPC1 (0.56) NT5ESLC2A1MEN1KMT2AALDH1A1
SCHEMBL9296249 0.88 SLC2A1 (0.46) NT5ESLC2A1MEN1KMT2ARXFP1
SCHEMBL9095566 0.81 NPC1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL13034836 0.79 ALDH1A1 (0.59) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL13486446 0.79 KDM4E (0.54) NT5EMEN1KMT2AALDH1A1NPC1
SCHEMBL31289528 0.79 MEN1 (0.54) NT5EMEN1KMT2ARXFP1CACNA1B
SCHEMBL20671486 0.78 METAP1 (0.64) SMN1; SMN2NPC1KDM4ERAB9AHDAC6
SCHEMBL13486448 0.78 PDE10A (0.47) NT5ESLC2A1ALDH1A1SMN1; SMN2NPC1
SCHEMBL9295731 0.77 MPL (0.67) NT5ESLC2A1MEN1KMT2ARXFP1
SCHEMBL18656069 0.76 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EMAPTRAB9A

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