SCHEMBL26850306

SCHEMBL26850306

C/N=C(\CCc1ccccc1)c1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
TDP1 Q9NUW8 3/20 0.50
RAB9A P51151 4/20 0.47
NPC1 O15118 2/20 0.47
CTSL P07711 1/20 0.46
SCN5A Q14524 3/20 0.46
SCN2A Q99250 3/20 0.46
GPR52 Q9Y2T5 1/20 0.45
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
LMNA P02545 1/20 0.43
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 2/20 0.42
GAA P10253 2/20 0.42

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
SCHEMBL8327562 0.77 TDP1 (0.54) L3MBTL1ALDH1A1KDM4EMAPTTDP1
SCHEMBL12330301 0.75 NPC1 (0.70) L3MBTL1ALDH1A1KDM4EMAPTTDP1
SCHEMBL27425744 0.72 NPC1 (0.58) ALDH1A1KDM4ETDP1RAB9ANPC1
SCHEMBL13853886 0.71 KDM4E (0.54) L3MBTL1KDM4ETDP1RAB9ANPC1
SCHEMBL12506243 0.70 TDP1 (0.59) L3MBTL1ALDH1A1TDP1RAB9ANPC1
SCHEMBL3022199 0.70 TDP1 (0.59) L3MBTL1ALDH1A1TDP1RAB9ANPC1
SCHEMBL24834896 0.70 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTTDP1LMNA
SCHEMBL12500555 0.70 CTSL (0.53) ALDH1A1KDM4EMAPTCTSLLMNA
Benzylacetone SCHEMBL28182445 0.69 ALDH1A1 (0.81) L3MBTL1ALDH1A1KDM4EMAPTTDP1
SCHEMBL20662962 0.69 KMT2A (0.45) L3MBTL1ALDH1A1KDM4EMAPTTDP1

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
WO-2023225327-A1 INDUCERS OF INTEGRATED STRESS RESPONSE TO TREAT CANCER THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-11-23 WO disclosed