SCHEMBL11190079

SCHEMBL11190079

C/N=C/Nc1ccc(C)cc1C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.47
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 2/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPK10 P53779 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 2/20 0.40
HSP90AA1 P07900 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 2/20 0.39
FKBP1A P62942 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 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
SCHEMBL29392382 1.00 RAPGEF4 (0.47) RAPGEF4MEN1KMT2AHPGDALDH1A1
SCHEMBL11185036 1.00 RAPGEF4 (0.47) RAPGEF4MEN1KMT2AHPGDALDH1A1
Hydrochloric Acid SCHEMBL29908518 0.98 RAPGEF4 (0.46) RAPGEF4MEN1KMT2AHPGDALDH1A1
SCHEMBL11477456 0.86 RAPGEF4 (0.47) RAPGEF4MEN1KMT2AALDH1A1HTT
SCHEMBL11176800 0.81 MAPK1 (0.51) RAPGEF4MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11176798 0.81 MAPK1 (0.51) RAPGEF4MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL29386255 0.81 MAPK1 (0.51) RAPGEF4MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3678612 0.79 CYP3A4 (0.51) RAPGEF4MEN1KMT2AHPGDALDH1A1
SCHEMBL3678614 0.79 CYP3A4 (0.51) RAPGEF4MEN1KMT2AHPGDALDH1A1
SCHEMBL2093389 0.75 MEN1 (0.50) RAPGEF4MEN1KMT2AHPGDALDH1A1

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-4369189-A INSECTICIDES, MITICIDES NEMATOCIDES UNION CARBIDE CORPORATION (US) 1983-01-18 US disclosed
US-4331680-A SUBSTITUTED BENZOPHENONE HYDRAZONE, INSECTICIDES THE BOOTS COMPANY (GB) 1982-05-25 US disclosed
US-4076837-A INSECTICIDES, MITICIDES CIBA-GEIGY CORPORATION (US) 1978-02-28 US disclosed