SCHEMBL8108178

SCHEMBL8108178

Cc1cc(C)n2c(=O)cc(-c3ccc(Cl)cc3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ RAD51 Q06609 4/20 0.45
▸ KDM5B Q9UGL1 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ PSD A5PKW4 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ PDE10A Q9Y233 1/20 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
SCHEMBL8108277 0.90 RAD51 (0.55) NPC1RAB9ARAD51MAPTALDH1A1
SCHEMBL8100020 0.86 RAD51 (0.49) NPC1RAB9ARAD51KDM5BMAPT
SCHEMBL8102012 0.85 KDM5B (0.48) NPC1RAB9ARAD51KDM5BMAPT
SCHEMBL7913582 0.83 KDM4E (0.51) NPC1RAB9ARAD51MAPTALDH1A1
SCHEMBL8101357 0.83 HTT (0.49) NPC1RAB9ARAD51KDM5BMAPT
SCHEMBL8106201 0.81 CTRC (0.45) NPC1RAB9ARAD51ALDH1A1
SCHEMBL8099799 0.80 NPC1 (0.51) NPC1RAB9ARAD51MAPTALDH1A1
SCHEMBL8100226 0.77 KDM4E (0.59) NPC1RAB9ARAD51KDM5BMAPT
SCHEMBL8092328 0.77 KDM5B (0.47) NPC1RAB9ARAD51KDM5BMAPT
SCHEMBL8101679 0.76 MEN1 (0.53) NPC1RAB9AMAPTALDH1A1TP53

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
US-6071930-A FOR INHIBITION OF MITOSIS OR TUMOR GROWTH THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2000-06-06 — — US disclosed
US-5994367-A PREVENT CELL MITOSIS; ANTICARCINOGENIC AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-11-30 — — US disclosed
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