SCHEMBL10575294

SCHEMBL10575294

CC(C)(CNC=O)c1ccc2[nH]c(-c3csnn3)nc2c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.31
▸ IDH1 O75874 1/20 0.31
▸ PTPN1 P18031 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL10575299 0.92 METAP2 (0.40) METAP2HDAC6
SCHEMBL10579195 0.83 METAP1 (0.48) METAP2NPC1RAB9AHDAC6
SCHEMBL10575330 0.83 AURKA (0.41) METAP2HDAC6
SCHEMBL10576840 0.82 HDAC6 (0.36) HDAC6
SCHEMBL10694085 0.81 METAP2 (0.31) METAP2HDAC6
SCHEMBL10573014 0.81 METAP2 (0.31) METAP2HDAC6
SCHEMBL10574691 0.81 KDM4E (0.43) NPC1RAB9AHDAC6
SCHEMBL10575751 0.80 METAP2 (0.34) METAP2HDAC6
SCHEMBL10695351 0.80 METAP2 (0.54) METAP2NPC1LMNAPKMRAB9A
SCHEMBL10577392 0.80 HDAC6 (0.30) HDAC6

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-4882342-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-11-21 — — US disclosed
EP-0266558-A2 5-Alkylbenzimidazoles, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1988-05-11 — — EP disclosed
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