SCHEMBL17115185

SCHEMBL17115185

CNCc1ccc(C2=NCCS2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.45
MGLL Q99685 3/20 0.44
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
NCF1 P14598 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 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
SCHEMBL534329 0.71 CA1 (0.54) MAPTCYP3A4
SCHEMBL13184538 0.71 KDM4E (0.59) ADRB2MAPTALDH1A1LOXL2NCF1
SCHEMBL21664123 0.71 ALDH1A1 (0.47) MGLLMAPTALDH1A1ATMLMNA
SCHEMBL20411019 0.71 ALDH1A1 (0.43) MGLLMAPTALDH1A1ATMLMNA
SCHEMBL8378973 0.71 MGLL (0.43) MGLLMAPTALDH1A1ATMLMNA
SCHEMBL21663870 0.69 MAPT (0.48) MGLLMAPTALDH1A1ATMKDM4E
SCHEMBL2504209 0.68 KDM4E (0.68) ADRB2MAPTLOXL2NCF1KDM4E
SCHEMBL9608569 0.67 ALDH1A1 (0.40) MGLLMAPTALDH1A1ATMLMNA
SCHEMBL22057583 0.67 MAPT (0.47) MGLLMAPTALDH1A1ATMLMNA
SCHEMBL2242209 0.67 NISCH (0.68) LMNA

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
EP-2435019-B1 DODECA-2E,4E-DIENE AMIDES AND THEIR USE AS MEDICAMENTS AND COSMETICS WOLFF AUGUST GMBH & CO KG ARZNEIMITTEL DR (DE) 2015-09-23 EP disclosed