SCHEMBL24469337

SCHEMBL24469337

c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cccc5sc6c7ccccc7ccc6c45)c4ccccc34)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.46
CYP1B1 Q16678 5/20 0.46
CYP1A2 P05177 3/20 0.38
F9 P00740 1/20 0.36
SOS1 Q07889 1/20 0.36
NQO1 P15559 1/20 0.35
NQO2 P16083 1/20 0.35
LIMK1 P53667 1/20 0.34
ALOX5 P09917 1/20 0.34
PTPN1 P18031 2/20 0.34
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
CDK4 P11802 3/20 0.31
CCND1 P24385 3/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CCNB2 O95067 1/20 0.31
CCNE2 O96020 1/20 0.31
CDK1 P06493 1/20 0.31

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
SCHEMBL21687084 0.95 CYP1A1 (0.46) CYP1A1CYP1B1CYP1A2F9SOS1
SCHEMBL21687083 0.92 CYP1A1 (0.45) CYP1A1CYP1B1CYP1A2F9SOS1
SCHEMBL18266968 0.92 CYP1A1 (0.47) CYP1A1CYP1B1CYP1A2F9SOS1
SCHEMBL24469227 0.90 CYP1A1 (0.46) CYP1A1CYP1B1CYP1A2F9SOS1
SCHEMBL24469325 0.89 CYP1A1 (0.45) CYP1A1CYP1B1CYP1A2F9SOS1
SCHEMBL24469326 0.88 CYP1A1 (0.47) CYP1A1CYP1B1CYP1A2F9SOS1
SCHEMBL24469299 0.88 CYP1A1 (0.40) CYP1A1CYP1B1CYP1A2F9SOS1
SCHEMBL23427854 0.88 ALOX5 (0.40) CYP1A1CYP1B1F9LIMK1ALOX5
SCHEMBL24469231 0.88 CYP1A1 (0.44) CYP1A1CYP1B1CYP1A2F9SOS1
SCHEMBL24469232 0.88 CYP1A1 (0.44) CYP1A1CYP1B1CYP1A2F9NQO1

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-20220173335-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS EQUIPPED WITH THE SAME IDEMITSU KOSAN CO.,LTD. (JP) 2022-06-02 US disclosed
US-20220173334-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS EQUIPPED WITH THE SAME IDEMITSU KOSAN CO.,LTD. (JP) 2022-06-02 US disclosed