SCHEMBL17488137

SCHEMBL17488137

O=C(Nc1ccc(Cl)cn1)c1ccc(CNc2nc3ccc(NC4COC4)cc3[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.45
MLLT1 Q03111 1/20 0.44
KLKB1 P03952 1/20 0.43
HDAC6 Q9UBN7 2/20 0.42
DGAT1 O75907 1/20 0.42
CYP2C8 P10632 1/20 0.42
KCNH2 Q12809 1/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
HDAC1 Q13547 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL17488012 0.82 HDAC1 (0.52) F10KLKB1HDAC6DGAT1CYP2C8
SCHEMBL18965854 0.82 F10 (0.46) F10KLKB1KMT2ANPC1RAB9A
SCHEMBL17488138 0.81 RAB9A (0.37) HDAC6DGAT1KCNH2KMT2ANPC1
SCHEMBL17488105 0.80 RAB9A (0.41) DGAT1KCNH2RAB9ASMN1; SMN2
SCHEMBL17487996 0.80 RAB9A (0.45) HDAC6KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL17488011 0.80 RIPK1 (0.37) HDAC6DGAT1KCNH2KMT2APOLB
SCHEMBL17488237 0.80 RAB9A (0.40) HDAC6KMT2APOLBNPC1RAB9A
SCHEMBL17488096 0.78 RAB9A (0.42) HDAC6KMT2APOLBNPC1RAB9A
SCHEMBL17487716 0.77 SMN1; SMN2 (0.43) HDAC6KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL17488013 0.77 RAB9A (0.39) DGAT1KCNH2RAB9ASMN1; SMN2

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
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 WO disclosed