SCHEMBL30280567

SCHEMBL30280567

Clc1cccc2[nH]c3ccc4ccccc4c3c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ GABRP O00591 2/20 0.48
▸ GABRD O14764 2/20 0.48
▸ GABRA1 P14867 2/20 0.48
▸ GABRB1 P18505 2/20 0.48
▸ GABRG2 P18507 2/20 0.48
▸ GABRB3 P28472 2/20 0.48
▸ GABRA5 P31644 2/20 0.48
▸ GABRA3 P34903 2/20 0.48
▸ GABRA2 P47869 2/20 0.48
▸ GABRB2 P47870 2/20 0.48
▸ GABRA4 P48169 2/20 0.48
▸ GABRE P78334 2/20 0.48
▸ GABRA6 Q16445 2/20 0.48
▸ GABRG1 Q8N1C3 2/20 0.48
▸ GABRG3 Q99928 2/20 0.48
▸ GABRQ Q9UN88 2/20 0.48
▸ CDK4 P11802 4/20 0.47
▸ CCND1 P24385 4/20 0.47

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
SCHEMBL30032319 0.86 CDK4 (0.53) CYP2A6CYP1A2GABRPGABRDGABRA1
SCHEMBL492860 0.86 CDK4 (0.53) CYP2A6CYP1A2GABRPGABRDGABRA1
SCHEMBL29363212 0.86 CDK4 (0.53) CYP2A6CYP1A2GABRPGABRDGABRA1
SCHEMBL25400363 0.82 CDK4 (0.45) CYP2A6CYP1A2GABRPGABRDGABRA1
SCHEMBL22019081 0.82 DYRK1A (0.61) CYP2A6CYP1A2GABRPGABRDGABRA1
SCHEMBL30282028 0.82 DYRK1A (0.61) CYP2A6CYP1A2GABRPGABRDGABRA1
SCHEMBL12219441 0.82 CDK4 (0.50) CYP2A6CYP1A2GABRPGABRDGABRA1
SCHEMBL22839599 0.81 KIF11 (0.61) CYP2A6CYP1A2GABRPGABRDGABRA1
SCHEMBL6009673 0.80 GABRP (0.61) CYP2A6CYP1A2GABRPGABRDGABRA1
SCHEMBL257083 0.80 CDK4 (0.68) CYP2A6GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109867619-B OLED intermediate 11-chloro-7H-benzo [ c ] carbazole and synthetic method thereof 西安瑞联新材料股份有限公司 2023-03-10 — — CN claimed
CN-109867619-B OLED intermediate 11-chloro-7H-benzo [ c ] carbazole and synthetic method thereof 西安瑞联新材料股份有限公司 2023-03-10 — — CN disclosed
CN-109867619-B OLED intermediate 11-chloro-7H-benzo [ c ] carbazole and synthetic method thereof 西安瑞联新材料股份有限公司 2023-03-10 — — CN disclosed
CN-109867619-B OLED intermediate 11-chloro-7H-benzo [ c ] carbazole and synthetic method thereof 西安瑞联新材料股份有限公司 2023-03-10 — — CN disclosed
Send feedback