SCHEMBL28616979

SCHEMBL28616979

Clc1ccccc1-c1cc(CBr)n(-c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 6/20 0.46
SNCA P37840 1/20 0.46
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRM5 P41594 1/20 0.37
FABP4 P15090 2/20 0.37
S1PR1 P21453 1/20 0.36
DCTPP1 Q9H773 1/20 0.36

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
SCHEMBL28920604 0.83 HTR2C (0.42) FABP3ALDH1A1LMNAKMT2AMEN1
SCHEMBL28623922 0.80 RXFP1 (0.50) FABP3SNCARXFP1ALDH1A1LMNA
SCHEMBL28615045 0.80 ALDH1A1 (0.53) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL28605603 0.79 SMN1; SMN2 (0.62) FABP3ALDH1A1LMNAKMT2AMEN1
SCHEMBL29528197 0.79 KDM4E (0.43) FABP3RXFP1ALDH1A1KDM4ENPC1
SCHEMBL17295136 0.78 FABP3 (0.49) FABP3SNCARXFP1ALDH1A1LMNA
SCHEMBL17290437 0.78 FABP3 (0.49) FABP3SNCARXFP1ALDH1A1LMNA
SCHEMBL3394445 0.77 ALPL (0.43) FABP3SNCARXFP1ALDH1A1HTT
SCHEMBL28607729 0.77 MAPT (0.53) RXFP1ALDH1A1LMNAKMT2AMEN1
SCHEMBL28610606 0.77 SMN1; SMN2 (0.55) FABP3ALDH1A1LMNAKMT2AMEN1

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