SCHEMBL28537487

SCHEMBL28537487

O=[N+]([O-])c1ccc(N2CCC(c3ccc(C(F)(F)F)cc3)C2)nc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
ALOX12 P18054 1/20 0.50
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ATM Q13315 1/20 0.46
NPY2R P49146 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ABL1 P00519 1/20 0.44
ACACB O00763 1/20 0.43
SERPINE1 P05121 1/20 0.43

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
SCHEMBL30474477 1.00 MAPT (0.55) MAPTALDH1A1LMNAMAPK1NPSR1
SCHEMBL28539978 0.86 ACACB (0.41) MAPTALDH1A1LMNAMAPK1NPSR1
SCHEMBL28532606 0.82 NOTUM (0.49) MAPTALDH1A1LMNAMAPK1POLB
SCHEMBL21619828 0.81 ACACB (0.47) ALDH1A1LMNAL3MBTL1CYP1A2CYP2C9
SCHEMBL2514843 0.81 MAPT (0.56) MAPTALDH1A1LMNAMAPK1NPSR1
SCHEMBL21616639 0.80 KDM4E (0.48) LMNACYP2C9KDM4EABL1ACACB
SCHEMBL21620073 0.80 KDM4E (0.46) LMNACYP2C9KDM4EABL1ACACB
SCHEMBL28532287 0.79 CHRNB2 (0.53) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL28537453 0.79 MAPT (0.45) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL30474474 0.79 MAPT (0.45) MAPTALDH1A1MAPK1MEN1KMT2A

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 2 patents. 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
CN-112513021-A ROR gamma antagonist and application thereof in medicine 广东东阳光药业有限公司 2021-03-16 CN disclosed