SCHEMBL11470932

SCHEMBL11470932

Cc1ccc(CC(=O)C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.47
RAB9A P51151 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 2/20 0.46
HPGD P15428 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.42
FFAR1 O14842 1/20 0.41
CYP2C19 P33261 1/20 0.40
PSMB8 P28062 1/20 0.40
PSMB5 P28074 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
SCHEMBL13799024 0.81 CA2 (0.56) CTBP2RAB9ANPC1HPGDKMT2A
SCHEMBL10172435 0.79 GAA (0.48) CTBP2RAB9ATDP1KMT2ASMN1; SMN2
SCHEMBL10445460 0.79 NPC1 (0.47) CTBP2RAB9AL3MBTL1NPC1HPGD
SCHEMBL28721854 0.79 CTBP2 (0.47) CTBP2RAB9AL3MBTL1NPC1HPGD
SCHEMBL10445335 0.79 HTT (0.58) CTBP2L3MBTL1NPC1TDP1KMT2A
SCHEMBL9195553 0.79 LMNA (0.43) L3MBTL1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL955096 0.78 CES1 (0.56) CTBP2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL28458644 0.76 L3MBTL1 (0.50) CTBP2RAB9AL3MBTL1NPC1HPGD
SCHEMBL13185335 0.76 CTBP2 (0.41) CTBP2FFAR1
Water SCHEMBL28157653 0.76 CTBP2 (0.52) CTBP2RAB9AL3MBTL1NPC1HPGD

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-4228082-A FUNGICIDES OR CHEMICAL INTERMIDIATES FOR 1,2,4-TRIAZINONE HERBICIDES DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1980-10-14 US disclosed
US-4224226-A FUNGICIDES BY CONDENSING AN ACYL CYANIDE WITH EITHER A TERTIARY ALCOHOL OR AN ALKENE DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1980-09-23 US disclosed