SCHEMBL17488012

SCHEMBL17488012

Nc1ccc2nc(NCc3ccc(C(=O)Nc4ccc(Cl)cn4)cc3)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.52
F10 P00742 11/20 0.51
HDAC6 Q9UBN7 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
DGAT1 O75907 1/20 0.47
CYP2C8 P10632 1/20 0.47
KCNH2 Q12809 1/20 0.47
KLKB1 P03952 3/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL17487550 0.85 HDAC6 (0.54) HDAC1HDAC6KMT2APOLBRAB9A
SCHEMBL17488137 0.82 F10 (0.45) HDAC1F10HDAC6KMT2APOLB
SCHEMBL18960435 0.81 F10 (0.52) F10KMT2ARAB9ANPC1KLKB1
SCHEMBL17488141 0.78 RAB9A (0.43) HDAC1HDAC6KMT2ARAB9ANPC1
SCHEMBL17487452 0.77 RAB9A (0.47) HDAC6KMT2APOLBRAB9ANPC1
SCHEMBL17487684 0.77 RAB9A (0.53) HDAC6KMT2ARAB9ANPC1TP53
SCHEMBL17488015 0.77 RAB9A (0.42) HDAC6KMT2APOLBRAB9ANPC1
SCHEMBL17487379 0.77 RAB9A (0.48) KMT2APOLBRAB9ANPC1CYP2C8
SCHEMBL17488218 0.76 RAB9A (0.46) HDAC6KMT2APOLBRAB9ANPC1
SCHEMBL17487313 0.76 HDAC6 (0.64) HDAC1HDAC6KMT2APOLBRAB9A

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