SCHEMBL13620544

SCHEMBL13620544

N#C/C(C=O)=C/c1ccc(I)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.46
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
CAPN1 P07384 1/20 0.43
CAPN2 P17655 1/20 0.43
RAB9A P51151 1/20 0.39
CISD1 Q9NZ45 2/20 0.38
THRB P10828 1/20 0.38
CYP3A4 P08684 2/20 0.37
HPGD P15428 2/20 0.37
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37
GPR35 Q9HC97 1/20 0.37
ESR1 P03372 2/20 0.35

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
SCHEMBL28429180 0.82 MEN1 (0.59) EGFRMAPTALDH1A1MEN1KMT2A
SCHEMBL5805255 0.82 MEN1 (0.59) EGFRMAPTALDH1A1MEN1KMT2A
SCHEMBL11553040 0.81 EGFR (0.46) EGFRMAPTALDH1A1MEN1KMT2A
SCHEMBL11552154 0.81 EGFR (0.46) EGFRMAPTALDH1A1MEN1KMT2A
SCHEMBL11552151 0.81 EGFR (0.46) EGFRMAPTALDH1A1MEN1KMT2A
SCHEMBL11553035 0.81 EGFR (0.46) EGFRMAPTALDH1A1MEN1KMT2A
SCHEMBL13265295 0.80 MCL1 (0.52) EGFRMAPTALDH1A1MEN1KMT2A
SCHEMBL628778 0.80 MCL1 (0.52) EGFRMAPTALDH1A1MEN1KMT2A
SCHEMBL4548765 0.80 MCL1 (0.52) EGFRMAPTALDH1A1MEN1KMT2A
SCHEMBL11551197 0.77 ALDH1A1 (0.64) MAPTALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7621966-B2 Cosmetic composition comprising at least one pigment and/or at least one filler surface-treated beforehand with at least one organic agent and at least one electrophilic monomer L'OREAL S.A. (FR) 2009-11-24 US disclosed