SCHEMBL6598217

SCHEMBL6598217

Cc1ncn(CCCOCc2ccccc2Cl)c1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
DUT P33316 1/20 0.35
ALDH1A1 P00352 4/20 0.35
GAA P10253 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
BRD4 O60885 1/20 0.33
MAPT P10636 3/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
IDO1 P14902 2/20 0.32
KDM4E B2RXH2 2/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 2/20 0.32
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31

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
SCHEMBL6599562 0.85 DUT (0.37) TDP1DUTCYP3A4CYP2D6CYP2C9
SCHEMBL6597552 0.84 TDP1 (0.41) TDP1ALDH1A1GAACYP3A4CYP2D6
SCHEMBL6599977 0.83 TDP1 (0.42) TDP1ALDH1A1GAACYP3A4CYP2D6
SCHEMBL6599980 0.81 DUT (0.38) DUTALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL6598259 0.74 CARM1 (0.36) TDP1DUTIDO1KDM4ELMNA
SCHEMBL6598215 0.73 TDP1 (0.35) TDP1ALDH1A1GAACYP3A4CYP2D6
SCHEMBL2830035 0.69 DUT (0.39) DUT
SCHEMBL6599808 0.69 MEN1 (0.40) TDP1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8536947 0.66 TAAR1 (0.41) DUTIDO1
SCHEMBL21459252 0.64 CNR1 (0.35) ALDH1A1GAALMNA

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
EP-1169320-B1 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEM INVESTMENT LTD (KR) 2004-09-22 EP disclosed
US-6511978-B1 For treating cancer, restenosis, atherosclerosis or viral infections LG LIFE SCIENCES, LTD. (KR) 2003-01-28 US disclosed