SCHEMBL30474459

SCHEMBL30474459

O=[N+]([O-])c1ccc(N2CC(c3ccc(C(F)(F)F)cc3)C[C@H]2CO)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
ENPP2 Q13822 1/20 0.37
DPP4 P27487 1/20 0.37
PREP P48147 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CXCR3 P49682 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
ACACB O00763 1/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL21616681 1.00 MAPT (0.39) MAPTNPSR1ALDH1A1LMNAALOX12
SCHEMBL28534462 0.87 MAPT (0.39) MAPTNPSR1ALDH1A1LMNAALOX12
SCHEMBL28534509 0.86 MAPT (0.38) MAPTNPSR1ALDH1A1LMNAALOX12
SCHEMBL28531773 0.84 ENPP2 (0.44) MAPTNPSR1ENPP2TGM2RAB9A
SCHEMBL28525708 0.84 ENPP2 (0.44) MAPTNPSR1ENPP2TGM2RAB9A
SCHEMBL21619928 0.82 ACACB (0.39) MAPTALDH1A1LMNACYP1A2CYP2C9
SCHEMBL21616683 0.82 ACACB (0.39) MAPTACACBTACR1TACR3L3MBTL1
SCHEMBL30474510 0.82 ACACB (0.39) MAPTACACBTACR1TACR3L3MBTL1
SCHEMBL28526816 0.78 KDM4E (0.42) MAPTALDH1A1LMNAKMT2AKDM4E
SCHEMBL28547084 0.77 SMN1; SMN2 (0.42) MAPTLMNAHPGDACACBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112513021-B ROR gamma antagonist and application thereof in medicines 广东东阳光药业有限公司 2023-06-27 CN disclosed