SCHEMBL21222752

SCHEMBL21222752

O=C(O)c1cc(Cc2ccc(C(F)(F)F)cc2)c2ccccn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.48
PDE4B Q07343 4/20 0.48
PDE4C Q08493 4/20 0.48
PDE4D Q08499 4/20 0.48
KCNH2 Q12809 1/20 0.47
SRD5A2 P31213 1/20 0.44
CCR9 P51686 1/20 0.41
BAZ2B Q9UIF8 2/20 0.40
BAZ2A Q9UIF9 2/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39
CCR2 P41597 2/20 0.38
PPARG P37231 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
TACR1 P25103 1/20 0.38
BRD4 O60885 1/20 0.37

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
SCHEMBL17339103 0.75 BAZ2B (0.49) BAZ2BBAZ2AFNTAFNTBTP53
SCHEMBL10362806 0.69 KCNH2 (0.54) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL26301363 0.69 FNTA (0.57) SRD5A2BAZ2BBAZ2AFNTAFNTB
SCHEMBL26301329 0.69 FNTA (0.53) SRD5A2BAZ2BBAZ2AFNTAFNTB
SCHEMBL4208025 0.69 CCR2 (0.74) CCR9CCR2PPARG
SCHEMBL26302080 0.69 BAZ2B (0.67) BAZ2BBAZ2ATP53MAPTBRD4
SCHEMBL2146030 0.68 KCNH2 (0.50) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL26301296 0.68 FNTA (0.51) SRD5A2BAZ2BBAZ2AFNTAFNTB
SCHEMBL12394721 0.68 KCNH2 (0.49) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL28249149 0.67 PTPN1 (0.49) SRD5A2MAPT

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-3759114-A1 HETEROBICYCLIC CARBOXYLIC ACIDS AND SALTS THEREOF Shenzhen Ionova Life Science Co., Ltd. (CN) 2021-01-06 EP claimed
EP-3749323-A1 HETEROBICYCLIC CARBOXYLIC ACIDS FOR TREATING CANCER OR INFLAMMATORY DISEASES Shenzhen Ionova Life Science Co., Ltd. (CN) 2020-12-16 EP claimed
WO-2019149286-A1 HETEROBICYCLIC CARBOXYLIC ACIDS FOR TREATING CANCER OR INFLAMMATORY DISEASES SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) 2019-08-08 WO claimed