SCHEMBL11670540

SCHEMBL11670540

CCC(CN(CC)c1ccccc1)OC(=O)Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ KMT2A Q03164 5/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NOX1 Q9Y5S8 2/20 0.38
▸ CNR2 P34972 2/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ TSHR P16473 3/20 0.37
▸ GLA P06280 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL11671481 0.92 MAPT (0.41) TDP1KMT2AMEN1NPC1RAB9A
SCHEMBL11671807 0.92 MAPT (0.40) L3MBTL1KMT2AMEN1NPC1RAB9A
SCHEMBL11672528 0.92 CNR1 (0.41) KMT2AMEN1NPC1RAB9ACNR2
SCHEMBL11671437 0.91 RAB9A (0.46) KMT2AMEN1NPC1RAB9ANOX1
SCHEMBL11671783 0.91 KMT2A (0.43) L3MBTL1KMT2AMEN1NPC1RAB9A
SCHEMBL11672710 0.90 MEN1 (0.40) KMT2AMEN1RAB9ANOX1CNR2
Benzene SCHEMBL11703966 0.90 CNR2 (0.40) L3MBTL1NPC1RAB9ACNR2ALDH1A1
SCHEMBL11671514 0.89 MAPT (0.43) L3MBTL1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL11671349 0.89 MTNR1A (0.46) KMT2AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL11670194 0.89 KMT2A (0.39) KMT2AMEN1NPC1RAB9AALDH1A1

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-4039539-A 1,2,4-Triazole-azo-aniline cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 — — US disclosed
Send feedback