SCHEMBL2523201

SCHEMBL2523201

Cc1cc(C)c2cc(C#N)c(N3CCCNCC3)nc2c1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.91
▸ KDM4E B2RXH2 9/20 0.80
▸ ALDH1A1 P00352 7/20 0.80
▸ HSD17B10 Q99714 5/20 0.80
▸ ALOX15 P16050 5/20 0.80
▸ CASP1 P29466 5/20 0.80
▸ CASP7 P55210 5/20 0.80
▸ TSHR P16473 4/20 0.80
▸ CFTR P13569 6/20 0.56
▸ KMT2A Q03164 4/20 0.54
▸ MAPT P10636 4/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ MEN1 O00255 2/20 0.52
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ USP2 O75604 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ HPGD P15428 1/20 0.46
▸ TP53 P04637 1/20 0.46

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
SCHEMBL14235629 0.95 TAAR1 (1.00) TAAR1KDM4EALDH1A1HSD17B10ALOX15
SCHEMBL5016782 0.78 KDM4E (0.73) TAAR1KDM4EALDH1A1HSD17B10ALOX15
SCHEMBL5016780 0.77 KDM4E (0.71) TAAR1KDM4EALDH1A1HSD17B10ALOX15
SCHEMBL21561037 0.74 TAAR1 (0.64) TAAR1KDM4EALDH1A1HSD17B10ALOX15
SCHEMBL14235251 0.72 CFTR (1.00) TAAR1KDM4EALDH1A1HSD17B10ALOX15
SCHEMBL4005299 0.70 ALDH1A1 (0.70) KDM4EALDH1A1HSD17B10KMT2AMAPT
SCHEMBL2522896 0.70 CASP1 (0.62) TAAR1KDM4EALDH1A1HSD17B10ALOX15
SCHEMBL24970930 0.70 TAAR1 (0.57) TAAR1KDM4EALDH1A1HSD17B10ALOX15
SCHEMBL31142938 0.70 TAAR1 (0.57) TAAR1KDM4EALDH1A1HSD17B10ALOX15
SCHEMBL14235249 0.69 CFTR (1.00) TAAR1KDM4EALDH1A1HSD17B10ALOX15

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-8039462-B2 Alzheimer's disease, stroke, traumatic brain injury, and depression, neurodegenerative diseases; antidepressants; a phenyl thiourea or urea derivatives; promote cell proliferation of stem or progenitor cells NEURONASCENT, INC. (US) 2011-10-18 — — US disclosed
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