SCHEMBL7536053

SCHEMBL7536053

CCC(C)(C)Nc1cc[c]cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.36
CCNE2 O96020 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
ELANE P08246 1/20 0.33
HPGD P15428 1/20 0.32
LATS1 O95835 1/20 0.30
LATS2 Q9NRM7 1/20 0.30
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL15342876 0.81 AR (0.41) ARCCNE2CDK4CCND1CCNE1
SCHEMBL4672020 0.80 ATM (0.31)
SCHEMBL583081 0.79 CCNE2 (0.44) ARCCNE2CDK4CCND1CCNE1
SCHEMBL21058261 0.77 MAPT (0.50) ARHPGDKDM4EL3MBTL1
Hydrochloric Acid SCHEMBL17710397 0.77 CCNE2 (0.42) ARCCNE2CDK4CCND1CCNE1
SCHEMBL23456270 0.76 L3MBTL1 (0.47) ARL3MBTL1
SCHEMBL21132145 0.76 TSHR (0.41) AR
SCHEMBL21799469 0.76 MAPT (0.40) ARL3MBTL1
SCHEMBL19334551 0.76 KDM4E (0.47) ARKDM4EL3MBTL1
SCHEMBL462035 0.75 AR (0.39) ARCCNE2CDK4CCND1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711760-B1 METHOD OF ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL IND LTD (JP) 2002-05-15 EP disclosed
US-6130332-A USING A GROUP 8 METAL CATALYST AND ALDEHYDES OR KETONE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-10 US disclosed
US-5792867-A Method of alkylating of triazine derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-11 US disclosed
EP-0760369-A1 PROCESS FOR ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-05 EP disclosed
EP-0711760-A1 METHOD OF ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-05-15 EP disclosed