SCHEMBL7792891

SCHEMBL7792891

COc1ccc(CN)cc1.O=Cc1ccc(Cl)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.57
MAOB P27338 6/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 3/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TRIM24 O15164 1/20 0.43
TYR P14679 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
IDO1 P14902 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
NPC1 O15118 1/20 0.42
DPP4 P27487 1/20 0.41

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
SCHEMBL7800514 0.89 TAAR1 (0.57) TDP1MAOBALDH1A1MAPTRAB9A
SCHEMBL7800221 0.88 TDP1 (0.53) TDP1MAOBALDH1A1MAPTMEN1
SCHEMBL4743206 0.80 ALDH1A1 (0.50) TDP1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL5508681 0.79 MAOB (0.63) TDP1MAOBIDO1LMNA
SCHEMBL19497462 0.79 ALDH1A1 (0.49) TDP1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL27717239 0.78 TDP1 (0.55) TDP1MEN1KMT2ALMNA
SCHEMBL14102978 0.77 NPC1 (0.61) TDP1MAOBALDH1A1RAB9AMEN1
SCHEMBL1236491 0.76 ALDH1A1 (0.66) TDP1ALDH1A1MAPTRAB9AMEN1
SCHEMBL29889164 0.76 TDP1 (1.00) TDP1ALDH1A1MAPTRAB9ATP53
SCHEMBL95435 0.76 TDP1 (1.00) TDP1ALDH1A1MAPTRAB9ATP53

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-1076649-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 2001-02-21 EP disclosed
US-6127381-A A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY LION BIOSCIENCE AG (DE) 2000-10-03 US disclosed
WO-1999055679-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 1999-11-04 WO disclosed