SCHEMBL28623922

SCHEMBL28623922

COc1ccccc1-c1cc(CBr)n(-c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.50
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
FABP3 P05413 9/20 0.44
THRB P10828 1/20 0.44
FABP4 P15090 6/20 0.44
LMNA P02545 1/20 0.42
ATM Q13315 1/20 0.42
SNCA P37840 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 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
SCHEMBL28616979 0.80 FABP3 (0.46) RXFP1ALDH1A1KDM4EFABP3FABP4
SCHEMBL28607526 0.80 ALDH1A1 (0.58) MAPTALDH1A1POLBLMNA
SCHEMBL3391977 0.78 MAPT (0.47) RXFP1MAPTALDH1A1KDM4EPOLB
SCHEMBL28920604 0.78 HTR2C (0.42) MAPTALDH1A1KDM4EFABP3FABP4
SCHEMBL28616980 0.77 POLB (0.50) MAPTALDH1A1POLBLMNATP53
SCHEMBL28615045 0.77 ALDH1A1 (0.53) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL28921066 0.77 ALDH1A1 (0.52) MAPTALDH1A1POLBFABP3FABP4
SCHEMBL29528197 0.77 KDM4E (0.43) RXFP1MAPTALDH1A1KDM4EGAA
SCHEMBL19423236 0.76 FABP3 (0.65) RXFP1MAPTFABP3FABP4LMNA
SCHEMBL28616976 0.74 SMN1; SMN2 (0.62) MAPTALDH1A1KDM4EPOLBGAA

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-113248438-A Pyrazole compound and preparation method thereof 浙大城市学院 2021-08-13 CN claimed
CN-113248438-B Pyrazole compound and preparation method thereof 浙大城市学院 2022-04-12 CN disclosed
CN-113248438-A Pyrazole compound and preparation method thereof 浙大城市学院 2021-08-13 CN disclosed