SCHEMBL21780378

SCHEMBL21780378

c1ccc(Cc2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.42
PTGES O14684 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2A6 P11509 1/20 0.42
INSR P06213 1/20 0.41
IGF1R P08069 1/20 0.41
BCHE P06276 2/20 0.40
CNR2 P34972 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CALM1 P0DP23 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 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
SCHEMBL15906432 0.90 CYP1A2 (0.50) ALOX5CYP1A2CYP2A6INSRIGF1R
SCHEMBL13657890 0.88 ESR1 (0.45) ALOX5PTGESCYP1A2CYP2A6INSR
SCHEMBL12971102 0.88 ESR1 (0.45) ALOX5PTGESCYP1A2CYP2A6INSR
SCHEMBL5531711 0.88 ESR1 (0.45) ALOX5PTGESCYP1A2CYP2A6INSR
SCHEMBL13020799 0.88 ESR1 (0.45) ALOX5PTGESCYP1A2CYP2A6INSR
SCHEMBL24177541 0.88 ESR1 (0.45) ALOX5PTGESCYP1A2CYP2A6INSR
SCHEMBL22793717 0.88 ESR1 (0.45) ALOX5PTGESCYP1A2CYP2A6INSR
SCHEMBL22129857 0.88 ESR1 (0.45) ALOX5PTGESCYP1A2CYP2A6INSR
SCHEMBL14111981 0.88 ESR1 (0.45) ALOX5PTGESCYP1A2CYP2A6INSR
SCHEMBL13658669 0.88 ESR1 (0.45) ALOX5PTGESCYP1A2CYP2A6INSR

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-3133665-B1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO LTD (JP) 2020-03-04 EP disclosed