SCHEMBL19393364

SCHEMBL19393364

CC(C)/C(=C/N(C)C)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ HTT P42858 2/20 0.44
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ LMNA P02545 4/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ NAPRT Q6XQN6 1/20 0.40
▸ P4HTM Q9NXG6 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ NPC1 O15118 7/20 0.38
▸ RAB9A P51151 7/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ MITF O75030 2/20 0.38
▸ TP53 P04637 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ MAPK1 P28482 2/20 0.38

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
SCHEMBL24589250 0.82 ALDH1A1 (0.49) ALDH1A1KDM4EHTTCES2CES1
SCHEMBL20830065 0.76 ALDH1A1 (0.44) ALDH1A1KDM4EHTTCES2CES1
SCHEMBL11448434 0.74 ALDH1A1 (0.48) ALDH1A1KDM4EHTTCES2CES1
SCHEMBL11448424 0.74 ALDH1A1 (0.48) ALDH1A1KDM4EHTTCES2CES1
SCHEMBL10707162 0.74 ALDH1A1 (0.48) ALDH1A1KDM4EHTTCES2CES1
SCHEMBL25510109 0.71 ALDH1A1 (0.46) ALDH1A1KDM4EHTTCES2CES1
SCHEMBL11232945 0.71 ALDH1A1 (0.55) ALDH1A1KDM4EHTTCES2CES1
SCHEMBL13516465 0.71 RAB9A (0.61) ALDH1A1KDM4EHTTLMNAL3MBTL1
SCHEMBL2581418 0.71 LMNA (0.52) ALDH1A1KDM4EHTTCES2CES1
SCHEMBL25279464 0.71 LMNA (0.52) ALDH1A1KDM4EHTTCES2CES1

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-3024821-B1 PROCESS FOR THE PREPARATION OF PERAMPANEL TEVA PHARMACEUTICALS INT GMBH (CH) 2017-09-27 — — EP disclosed
Send feedback