SCHEMBL3986116

SCHEMBL3986116

C1=C\n2c(cc3ccccc32)-c2ccccc2OC/1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.35
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.31
CYP2B6 P20813 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
SCHEMBL3986119 1.00 KMT2A (0.35) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL732858 0.74 KMT2A (0.37) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL4512434 0.72 KMT2A (0.38) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL34463705 0.72 KMT2A (0.38) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL19609005 0.70 PIK3CA (0.39) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL4826623 0.69 KMT2A (0.33) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL19608988 0.68 EGFR (0.39) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL25135417 0.67 PKM (0.48) KMT2AKDM4EMEN1ALDH1A1PKM
SCHEMBL3986117 0.65 KMT2A (0.35) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL4496272 0.65 ALKBH5 (0.34) CYP2B6

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-2027125-A1 PENTACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-02-25 EP claimed
WO-2007129119-A1 PENTACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-11-15 WO claimed