SCHEMBL28289727

SCHEMBL28289727

Clc1ccc(Nc2c[c]ccc2Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
MT-CO2 P00403 1/20 0.35
LMNA P02545 2/20 0.34
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
IDO1 P14902 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
POLB P06746 1/20 0.33
ERBB2 P04626 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL5542327 0.74 MAPT (0.42) MAPTMT-CO2LMNAKMT2AMEN1
SCHEMBL6944649 0.73 MAOB (0.48) MAPTLMNAKMT2AMEN1IDO1
SCHEMBL28053382 0.71
SCHEMBL3828871 0.71
SCHEMBL11175497 0.71 GAA (0.49) MAPTLMNAKMT2AMEN1IDO1
SCHEMBL8830220 0.71 ALOX12 (0.41) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL5545978 0.69 ALDH1A1 (0.46) ALDH1A1GAAKDM4EHPGDMAPK1
SCHEMBL1686571 0.68 LMNA (0.57) MAPTMT-CO2LMNAKMT2AMEN1
SCHEMBL9516529 0.68 LMNA (0.57) MAPTMT-CO2LMNAKMT2AMEN1
SCHEMBL5542524 0.68 TSHR (0.46) MAPTLMNAKMT2AMEN1CYP1A2

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-109761880-A The synthetic method of Carprofen and its intermediate 王美妮 2019-05-17 CN disclosed
CN-109761881-A The synthetic method of Carprofen and its intermediate 王美妮 2019-05-17 CN disclosed
CN-109705020-A The synthetic method of Carprofen and its intermediate 王美妮 2019-05-03 CN disclosed