SCHEMBL9746113

SCHEMBL9746113

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)c1ccccc1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 4/20 0.38
NPC1 O15118 1/20 0.38
JAK2 O60674 1/20 0.38
RAB9A P51151 1/20 0.38
PAX8 Q06710 1/20 0.38
TSHR P16473 1/20 0.37
ALDH3A1 P30838 2/20 0.36
ALDH1A3 P47895 2/20 0.36
ICMT O60725 1/20 0.36
ALB P02768 1/20 0.36
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 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
SCHEMBL2832222 1.00 ALDH1A1 (0.41) ALDH1A1TP53TDP1MEN1LMNA
SCHEMBL9104204 1.00 ALDH1A1 (0.41) ALDH1A1TP53TDP1MEN1LMNA
SCHEMBL3362751 0.98 TDP1 (0.40) ALDH1A1TP53TDP1MEN1LMNA
SCHEMBL1169909 0.93 TDP1 (0.41) ALDH1A1TP53TDP1MEN1LMNA
SCHEMBL4091793 0.86 ALDH1A1 (0.47) ALDH1A1TP53TDP1MEN1LMNA
SCHEMBL303151 0.83 ALDH1A1 (0.38) ALDH1A1TP53THRBKCNH2NPC1
SCHEMBL10623984 0.83 ALDH1A1 (0.38) ALDH1A1TP53THRBKCNH2NPC1
SCHEMBL10628695 0.83 ALDH1A1 (0.38) ALDH1A1TP53THRBKCNH2NPC1
SCHEMBL10628487 0.83 ALDH1A1 (0.38) ALDH1A1TP53THRBKCNH2NPC1
SCHEMBL3359315 0.83 ALDH1A1 (0.37) ALDH1A1TP53LMNAKCNH2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0313474-B1 AN OPTICAL ARTICLE EXHIBITING A HIGH LEVEL OF SECOND ORDER POLARIZATION SUSCEPTIBILITY EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1992-12-23 EP disclosed
EP-0313474-A2 An optical article exhibiting a high level of second order polarization susceptibility EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1989-04-26 EP disclosed
US-4792208-A POLAR ALIGNED NONCENTROSYMMETRIC MOLECULAR DIPOLES; SULFONYL MOIETY AS ELECTRON ACCEPTOR EASTMAN KODAK COMPANY (US) 1988-12-20 US disclosed