SCHEMBL28575304

SCHEMBL28575304

CCOC(=O)Cc1cc(Br)c([N+](=O)[O-])cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GPR174 Q9BXC1 2/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 2/20 0.40
MAPK1 P28482 4/20 0.40
GAA P10253 1/20 0.40
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL4300344 0.90 PDGFRB (0.45) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL5150299 0.88 MAPT (0.45) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL4280091 0.85 MAPT (0.43) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL4280859 0.84 MAPT (0.40) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL31053309 0.82 HCAR2 (0.40) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL29150029 0.79 KMT2A (0.39) MAPTALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL4277099 0.78 MAPT (0.44) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL28654992 0.78 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL4281268 0.76 MAPT (0.40) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL28965649 0.76 PDGFRB (0.64) MAPTALDH1A1SMN1; SMN2LMNAKMT2A

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-112824398-B Immunomodulator 成都先导药物开发股份有限公司 2022-10-21 CN disclosed
CN-112824398-A Immunomodulator 成都先导药物开发股份有限公司 2021-05-21 CN disclosed