SCHEMBL29632523

SCHEMBL29632523

N#Cc1ccc2nc(C(F)(F)F)cc(O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 3/20 0.41
PIN1 Q13526 1/20 0.38
SLC2A1 P11166 3/20 0.38
SLC2A3 P11169 3/20 0.38
SLC2A2 P11168 2/20 0.38
HSD17B14 Q9BPX1 1/20 0.38
SLC2A4 P14672 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
KDM4E B2RXH2 2/20 0.36
TMPRSS4 Q9NRS4 1/20 0.36
DGAT1 O75907 1/20 0.36
SOAT1 P35610 1/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL30540334 0.83 NT5E (0.60) NT5EPIN1SLC2A1SLC2A3SLC2A2
SCHEMBL2712104 0.78 KDM4E (0.49) NT5EADORA2AADORA1KDM4EDGAT1
SCHEMBL4420000 0.78 NT5E (0.49) NT5EADORA2AADORA1KDM4EMEN1
SCHEMBL4214227 0.76 NT5E (0.69) NT5ESLC2A1SLC2A3SLC2A2SLC2A4
SCHEMBL11828378 0.76 NT5E (0.51) NT5EADORA2AADORA1KDM4EMAPT
SCHEMBL23716945 0.76 ADRB2 (0.55) NT5EADORA2AADORA1KDM4EMEN1
SCHEMBL4744648 0.76 PIN1 (0.41) PIN1KDM4ELMNAAR
SCHEMBL28019418 0.74 NT5E (0.56) NT5EADORA2AADORA1KDM4EDGAT1
SCHEMBL5561501 0.74 PIN1 (0.49) PIN1HSD17B14CYP11B2AR
SCHEMBL2425907 0.74 ADORA2A (0.58) NT5EADORA2AADORA1MAPTKMT2A

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
CN-116710434-A Modulators of MAS-related G protein receptor X2 and related products and uses thereof 伊赛恩特制药公司 2023-09-05 CN disclosed
EP-4232042-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND THEIR USE ESCIENT PHARMACEUTICALS, INC. (US) 2023-08-30 EP disclosed
WO-2022087083-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND THEIR USE ESCIENT PHARMACEUTICALS, INC. (US) 2022-04-28 WO disclosed