SCHEMBL6602229

SCHEMBL6602229

OCCCOCc1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.50
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
NR4A2 P43354 2/20 0.41
LMNA P02545 2/20 0.41
PNMT P11086 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HPGD P15428 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.39
CYP2C9 P11712 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL11707615 0.95 IDO1 (0.48) IDO1CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL2339683 0.89 IDO1 (0.53) IDO1CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL19055306 0.81 IDO1 (0.50) IDO1CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL10458646 0.81 IDO1 (0.53) IDO1CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL23708530 0.80 IDO1 (0.57) IDO1NR4A2LMNAPNMTMAOA
SCHEMBL4574094 0.80 MAP2K1 (0.39) IDO1CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL3774965 0.80 IDO1 (0.67) IDO1NR4A2LMNAPNMTMAOA
SCHEMBL18596661 0.79 IDO1 (0.47) IDO1CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL2094931 0.79 IDO1 (0.47) IDO1NR4A2LMNAPNMTMAOA
SCHEMBL4058386 0.79 IDO1 (0.55) IDO1NR4A2LMNAPNMTMAOA

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