SCHEMBL27635170

SCHEMBL27635170

Cc1oc(-c2cccc([N+](=O)[O-])c2)nc1CCO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.55
ALDH1A1 P00352 3/20 0.51
RAB9A P51151 7/20 0.50
NPC1 O15118 6/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ELANE P08246 1/20 0.49
PSMB8 P28062 1/20 0.47
KDM1A O60341 2/20 0.46
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PPARA Q07869 2/20 0.44
PPARD Q03181 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL4850586 0.85 RAB9A (0.52) PPARGALDH1A1RAB9ANPC1MAPT
SCHEMBL3532628 0.84 KDM1A (0.57) PPARGALDH1A1RAB9ANPC1MAPT
SCHEMBL27635303 0.81 PPARG (0.56) PPARGALDH1A1RAB9ANPC1MAPT
SCHEMBL1436917 0.80 PPARA (0.54) PPARGALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL5204314 0.79 KDM4E (0.54) PPARGRAB9ANPC1KDM1AKDM4E
SCHEMBL11620457 0.79 RAB9A (0.51) PPARGALDH1A1RAB9ANPC1MAPT
SCHEMBL12617314 0.78 MAPT (0.53) PPARGNPC1MAPTKDM1AKDM4E
SCHEMBL4888438 0.78 PPARG (0.57) PPARGRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL6509332 0.78 PPARG (0.52) PPARGALDH1A1MEN1KMT2AKDM1A
SCHEMBL979145 0.77 KDM4E (0.65) PPARGRAB9ANPC1KDM4EPPARA

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-1810795-A Benzopyran compound and its prepn and use SHANGHAI INST OF MEDICAMENTS C (CN) 2006-08-02 CN disclosed