Sugi Predict

Sugi Predict / Compounds / SCHEMBL4967949

SCHEMBL4967949

SCHEMBL4967949

CC(C)(C#N)NC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.59
▸ KMT2A Q03164 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ POLB P06746 3/20 0.54
▸ CTSS P25774 1/20 0.54
▸ CTSK P43235 1/20 0.54
▸ CYP2C9 P11712 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ EPHX1 P07099 1/20 0.49
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ HDAC3 O15379 1/20 0.45
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ IDO1 P14902 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45

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
SCHEMBL18944086 0.82 HDAC8 (0.56) KMT2AMEN1POLBSMN1; SMN2NPC1
SCHEMBL4941829 0.81 NPC1 (0.64) CTSLKMT2AMEN1POLBCYP2C9
SCHEMBL16346662 0.80 PLK1 (0.54) CTSLKMT2AMEN1CTSSCTSK
SCHEMBL16376235 0.80 POLB (0.53) CTSLKMT2AMEN1POLBCTSS
SCHEMBL7213607 0.80 POLB (0.49) CTSLKMT2APOLBCTSSCTSK
SCHEMBL1233442 0.79 POLB (0.59) POLBCYP2C9SMN1; SMN2EPHX1NPC1
SCHEMBL18932403 0.78 TP53BP1 (0.52) CTSLKMT2AMEN1CTSSCTSK
SCHEMBL408310 0.78 CYP2C9 (0.67) POLBCYP2C9SMN1; SMN2EPHX1NPC1
SCHEMBL29082327 0.77 POLB (0.50) CTSLPOLBCYP2C9SMN1; SMN2EPHX1
Hydrochloric Acid SCHEMBL22076570 0.76 CYP2C9 (0.65) POLBCYP2C9SMN1; SMN2EPHX1NPC1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104045581-B A kind of method preparing N-isopropyl cyanide benzamide derivatives SUZHOU UNIVERSITY (CN) 2015-10-28 — — CN claimed
CN-104045581-A Method for preparing N-isobutyronitrile benzamide ramification UNIV SOOCHOW 2014-09-17 — — CN claimed
CN-109071543-B Pyridine derivatives inhibiting RAF kinase and vascular endothelial growth factor receptor, process for their preparation, pharmaceutical compositions containing them and their use 三进制药株式会社 2021-07-16 — — CN disclosed
CN-104045581-B A kind of method preparing N-isopropyl cyanide benzamide derivatives SUZHOU UNIVERSITY (CN) 2015-10-28 — — CN disclosed
CN-104045581-B A kind of method preparing N-isopropyl cyanide benzamide derivatives SUZHOU UNIVERSITY (CN) 2015-10-28 — — CN disclosed
CN-104045581-B A kind of method preparing N-isopropyl cyanide benzamide derivatives SUZHOU UNIVERSITY (CN) 2015-10-28 — — CN disclosed
CN-104045581-A Method for preparing N-isobutyronitrile benzamide ramification UNIV SOOCHOW 2014-09-17 — — CN disclosed
CN-104045581-A Method for preparing N-isobutyronitrile benzamide ramification UNIV SOOCHOW 2014-09-17 — — CN disclosed
CN-104045581-A Method for preparing N-isobutyronitrile benzamide ramification UNIV SOOCHOW 2014-09-17 — — CN disclosed
EP-2576566-A1 THIENO (2, 3B) PYRAZINE COMPOUNDS AS B - RAF INHIBITORS MSD Oss B.V. (NL) 2013-04-10 — — EP disclosed
EP-1966159-A2 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-09-10 — — EP disclosed
WO-2007071963-A2 QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2007-06-28 — — WO disclosed