SCHEMBL11532007

SCHEMBL11532007

CC1(C)C(=O)N(CC#N)C(=O)N1CC#N

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.44
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 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
SCHEMBL8997578 0.77 RAB9A (0.37) ARRAB9APOLB
SCHEMBL11762208 0.74 RAB9A (0.35) ARRAB9AMMP2MMP3
SCHEMBL8445574 0.74 RAB9A (0.35) RAB9A
SCHEMBL11696234 0.67 F2 (0.46) ARRAB9ALMNAPOLBMMP2
SCHEMBL6642820 0.65 ELANE (0.49) ARLMNAALDH1A1MAPTRECQL
SCHEMBL6297328 0.64 LMNA (0.35) LMNAALDH1A1MAPTRECQL
SCHEMBL8165395 0.64 KMT2A (0.33) AR
SCHEMBL11599546 0.64 RAB9A (0.49) RAB9APOLBMMP2MMP3
SCHEMBL13853141 0.64 RAB9A (0.42) RAB9APOLBMMP2MMP3
SCHEMBL8445120 0.64 RAB9A (0.36) RAB9A

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-4142029-A Bis-tetrazoles as chemical blowing agents for foaming thermoplastic resins CIBA-GEIGY CORPORATION (US) 1979-02-27 US disclosed