SCHEMBL7774349

SCHEMBL7774349

COc1ccc(C(C#N)=C2CCCCN2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 4/20 0.45
GAA P10253 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HSP90AA1 P07900 1/20 0.45
PKM P14618 1/20 0.45
GFER P55789 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CASP1 P29466 1/20 0.41
TSHR P16473 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 4/20 0.39
HCRTR1 O43613 1/20 0.38
LMNA P02545 1/20 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
SCHEMBL11481778 0.99 ALDH1A1 (0.47) ALDH1A1MAPK1GAANPSR1HSP90AA1
SCHEMBL11481776 0.99 ALDH1A1 (0.47) ALDH1A1MAPK1GAANPSR1HSP90AA1
SCHEMBL7778947 0.84 ALDH1A1 (0.48) ALDH1A1MAPK1GAANPSR1TDP1
SCHEMBL7782342 0.81 NPC1 (0.47) ALDH1A1MAPK1GAANPC1RAB9A
SCHEMBL7782268 0.80 NPC1 (0.62) ALDH1A1MAPK1GAANPC1RAB9A
SCHEMBL11485616 0.79 RAB9A (0.49) ALDH1A1MAPK1GAANPSR1HSP90AA1
SCHEMBL11485620 0.79 RAB9A (0.49) ALDH1A1MAPK1GAANPSR1HSP90AA1
SCHEMBL11472131 0.79 NPC1 (0.65) ALDH1A1MAPK1GAANPC1RAB9A
SCHEMBL11472132 0.79 NPC1 (0.65) ALDH1A1MAPK1GAANPC1RAB9A
SCHEMBL11369345 0.78 PDE4A (0.44) ALDH1A1MAPK1MEN1KMT2AHPGD

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-0949247-B1 Process for the preparation of piperidinylidene derivatives TAKASAGO PERFUMERY CO LTD (JP) 2001-09-12 EP disclosed
US-6008358-A Process for the preparation of piperidinylidene derivative TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-12-28 US disclosed
EP-0949247-A1 Process for the preparation of piperidinylidene derivatives Takasago International Corporation (JP) 1999-10-13 EP disclosed