SCHEMBL18798587

SCHEMBL18798587

c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc4ccc5ccc(N(c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6cccc7c6oc6ccccc67)c6ccc3c4c56)c3cccc4c3oc3ccccc34)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.34
ZAP70 P43403 1/20 0.34
SYK P43405 1/20 0.34
ALOX5 P09917 3/20 0.34
CYP19A1 P11511 2/20 0.33
PLA2G2A P14555 2/20 0.32
PLA2G4A P47712 2/20 0.32
CYP1B1 Q16678 3/20 0.32
CYP1A2 P05177 3/20 0.32
CYP1A1 P04798 2/20 0.32
MAPT P10636 3/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
CYP3A4 P08684 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALPI P09923 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
CASP3 P42574 1/20 0.32

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
SCHEMBL4089280 1.00 JAK2 (0.34) JAK2ZAP70SYKALOX5CYP19A1
SCHEMBL18798581 0.93 ALOX5 (0.34) JAK2ZAP70SYKALOX5CYP19A1
SCHEMBL4084581 0.93 ALOX5 (0.34) JAK2ZAP70SYKALOX5CYP19A1
SCHEMBL24452228 0.92 CYP1A1 (0.31) JAK2ZAP70SYKALOX5CYP19A1
SCHEMBL18798632 0.92 CYP19A1 (0.35) JAK2ZAP70SYKALOX5CYP19A1
SCHEMBL23849224 0.92 ALOX5 (0.33) ALOX5CYP19A1PLA2G2APLA2G4ACYP1B1
SCHEMBL20696437 0.91 CYP1A2 (0.35) ALOX5CYP19A1PLA2G2APLA2G4ACYP1B1
SCHEMBL4089264 0.91 ALOX5 (0.35) ALOX5CYP19A1PLA2G2APLA2G4AMAPT
SCHEMBL23065184 0.90 PGR (0.33) CYP1A2MAPTKMT2AMEN1CYP3A4
SCHEMBL24617947 0.89 ALOX5 (0.34) ALOX5PLA2G2APLA2G4ACYP1B1CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9640773-B2 Aromatic amine derivative and organic electroluminescence element using same IDEMITSU KOSAN CO., LTD. (JP) 2017-05-02 US disclosed
US-9640773-B2 Aromatic amine derivative and organic electroluminescence element using same IDEMITSU KOSAN CO., LTD. (JP) 2017-05-02 US disclosed