SCHEMBL20146546

SCHEMBL20146546

Cc1ccc(C(C)(C)C)c2sccc12

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.33
ADORA1 P30542 2/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CA2 P00918 2/20 0.31
CYP1A2 P05177 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
TYR P14679 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL25146224 0.85 CA2 (0.34) ADORA2AADORA1CA2
SCHEMBL31441242 0.78 ADORA2A (0.31) ADORA2AADORA1CA2
SCHEMBL31441244 0.78 NEK1 (0.32) ADORA2AADORA1CA2
SCHEMBL6127813 0.78 CYP1A2 (0.39) CYP1A2ALDH1A1
SCHEMBL20126955 0.77 ALDH1A1 (0.32) ADORA2AADORA1CA2ALDH1A1POLB
SCHEMBL20126953 0.73 ALDH1A1 (0.32) ADORA2AADORA1CA2ALDH1A1POLB
SCHEMBL17208936 0.71 CYP1A2 (0.33) CYP1A2
SCHEMBL21625566 0.71 CYP1A2 (0.33) CYP1A2ALDH1A1
SCHEMBL24819185 0.71 DYRK1A (0.36) CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL4802963 0.71 KMT2A (0.38) CYP1A2ALDH1A1POLB

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
EP-3789379-A1 4-PHENYLBENZO[G]QUINAZOLINE OR 4-(3,5-DIMETHYLPHENYLBENZO[G]QUINAZOLINE IRIDIUM COMPLEXES FOR USE AS NEAR-INFRARED OR INFRARED EMITTING MATERIALS IN OLEDS Universal Display Corporation (US) 2021-03-10 EP disclosed
EP-3321258-B1 4-PHENYLBENZO[G]QUINAZOLINE OR 4-(3,5-DIMETHYLPHENYLBENZO[G]QUINAZOLINE IRIDIUM COMPLEXES FOR USE AS NEAR-INFRARED OR INFRARED EMITTING MATERIALS IN OLEDS UNIVERSAL DISPLAY CORP (US) 2020-12-23 EP disclosed
EP-3321258-A1 4-PHENYLBENZO[G]QUINAZOLINE OR 4-(3,5-DIMETHYLPHENYLBENZO[G]QUINAZOLINE IRIDIUM COMPLEXES FOR USE AS NEAR-INFRARED OR INFRARED EMITTING MATERIALS IN OLEDS Universal Display Corporation (US) 2018-05-16 EP disclosed