SCHEMBL12869883

SCHEMBL12869883

COC(=O)Cc1ccc(-c2cccnc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
NPC1 O15118 1/20 0.59
ALDH1A1 P00352 1/20 0.59
MAPK1 P28482 1/20 0.59
MKNK1 Q9BUB5 4/20 0.57
MKNK2 Q9HBH9 4/20 0.57
WNT3A P56704 2/20 0.55
HTT P42858 1/20 0.54
LMNA P02545 1/20 0.53
PORCN Q9H237 1/20 0.53
CYP2A6 P11509 1/20 0.53
SMPD1 P17405 2/20 0.50
MAP4K4 O95819 1/20 0.50
ABL1 P00519 1/20 0.50
NTRK1 P04629 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
CSF1R P07333 1/20 0.50
RET P07949 1/20 0.50
IGF1R P08069 1/20 0.50

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
SCHEMBL29001632 0.85 MKNK1 (0.54) MKNK1MKNK2WNT3AHTTLMNA
SCHEMBL3933089 0.85 ALDH1A1 (0.60) KDM4ENPC1ALDH1A1MAPK1MKNK1
SCHEMBL12646562 0.85 HDAC1 (0.60) KDM4ENPC1ALDH1A1MAPK1MKNK1
SCHEMBL28303354 0.83 MKNK1 (0.62) ALDH1A1MKNK1MKNK2WNT3AHTT
SCHEMBL29466814 0.82 NAPRT (0.62) KDM4ENPC1ALDH1A1MAPK1CYP19A1
SCHEMBL178130 0.82 NAPRT (0.62) KDM4ENPC1ALDH1A1MAPK1CYP19A1
SCHEMBL1428025 0.82 LMNA (0.62) KDM4ENPC1ALDH1A1HTTLMNA
SCHEMBL3932055 0.82 ALDH1A1 (0.60) KDM4ENPC1ALDH1A1MAPK1MKNK1
SCHEMBL3941801 0.81 ALDH1A1 (0.58) KDM4ENPC1ALDH1A1MAPK1LMNA
Ammonia Solution, Strong SCHEMBL27841922 0.81 NAPRT (0.61) KDM4ENPC1ALDH1A1MAPK1CYP19A1

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
US-7883713-B2 Suspension, ointment, solution, spray, lotion, gel, cream, powder, powder spray, paste, emulsion, foam or stick; for treatment of herpes infections in humans AICURIS GMBH & CO. KG (DE) 2011-02-08 US disclosed
US-7883713-B2 Suspension, ointment, solution, spray, lotion, gel, cream, powder, powder spray, paste, emulsion, foam or stick; for treatment of herpes infections in humans AICURIS GMBH & CO. KG (DE) 2011-02-08 US disclosed
EP-1629842-B1 Topical application of thiazolyl amides AICURIS GMBH & CO KG (DE) 2010-04-14 EP disclosed