SCHEMBL30757478

SCHEMBL30757478

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c5ccccc5cc5ccccc45)cc3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.52
ESR1 P03372 5/20 0.50
ESR2 Q92731 5/20 0.50
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 3/20 0.48
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ATM Q13315 1/20 0.46
NTSR1 P30989 1/20 0.44
LMNA P02545 3/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
POLB P06746 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2B P29275 1/20 0.42
GPR84 Q9NQS5 1/20 0.41

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
SCHEMBL20954050 1.00 ALOX5 (0.52) ALOX5ESR1ESR2MEN1KMT2A
SCHEMBL21709137 0.98 ALOX5 (0.50) ALOX5ESR1ESR2MEN1KMT2A
SCHEMBL13916745 0.96 ALOX5 (0.55) ALOX5ESR1ESR2MEN1KMT2A
SCHEMBL13871681 0.94 ALOX5 (0.53) ALOX5ESR1ESR2MEN1KMT2A
SCHEMBL9958607 0.90 ALOX5 (0.46) ALOX5ESR1ESR2MEN1KMT2A
SCHEMBL28327020 0.90 L3MBTL1 (0.48) ALOX5ESR1ESR2MEN1KMT2A
SCHEMBL21882624 0.90 ABCG2 (0.47) ALOX5ESR1ESR2MEN1KMT2A
SCHEMBL18327640 0.89 ALOX5 (0.46) ALOX5ESR1ESR2MEN1KMT2A
SCHEMBL20565708 0.89 ALOX5 (0.49) ALOX5ESR1ESR2MEN1KMT2A
SCHEMBL30141913 0.89 ALOX5 (0.49) ALOX5ESR1ESR2MEN1KMT2A

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
CN-118102838-A Triazine compound and organic semiconductor layer comprising the same 诺瓦尔德股份有限公司 2024-05-28 CN disclosed
CN-111448188-B Triazine compound and organic semiconductor layer comprising the same 诺瓦尔德股份有限公司 2024-02-13 CN disclosed