SCHEMBL3585597

SCHEMBL3585597

NNC(=O)c1cccc2nc(-c3ccc(-n4ccnc4)cc3)[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.45
GRK6 P43250 1/20 0.44
ADH5 P11766 2/20 0.42
FBP1 P09467 1/20 0.42
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
PORCN Q9H237 2/20 0.41
CD38 P28907 3/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP4Z1 Q86W10 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL3575391 0.88 DHODH (0.47) DHODHGRK6ADH5FBP1NPC1
SCHEMBL3585590 0.83 PKN1 (0.54) DHODHROCK1
SCHEMBL3577856 0.83 KDM4E (0.50) DHODHGRK6ADH5FBP1NPC1
SCHEMBL6805689 0.82 PKN1 (0.49) ALOX15CYP3A4CYP2D6ROCK1
SCHEMBL3581194 0.77 AURKA (0.49) KMT2AMEN1
SCHEMBL3575386 0.73 PARP1 (0.67) DHODHALOX15ROCK1
SCHEMBL3582143 0.71 AURKB (0.56) DHODH
SCHEMBL3580322 0.71 CHEK1 (0.61)
SCHEMBL6582804 0.71 HPSE (0.47) DHODHGRK6ADH5NPC1RAB9A
SCHEMBL6810489 0.70 POLB (0.49) NPC1RAB9AKMT2AMEN1

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-7781596-B1 Substituted 2-phenylbenzimidazoles, the production thereof and their use ABBOTT LABORATORIES (US) 2010-08-24 US disclosed