SCHEMBL26344774

SCHEMBL26344774

Cc1occc1C(=O)NI

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.61
TSHR P16473 1/20 0.61
ESR2 Q92731 1/20 0.61
POLB P06746 5/20 0.59
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
RAB9A P51151 2/20 0.56
HPGD P15428 2/20 0.56
LMNA P02545 3/20 0.54
PKM P14618 2/20 0.54
CYP2C19 P33261 2/20 0.54
NPC1 O15118 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
GLA P06280 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
ALDH1A1 P00352 2/20 0.53
ESR1 P03372 1/20 0.53

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
SCHEMBL8317330 0.82 MAPK1 (0.62) MAPK1TSHRESR2POLBKMT2A
SCHEMBL26332927 0.80 MAPK1 (0.61) MAPK1TSHRESR2POLBKMT2A
SCHEMBL34468119 0.80 TSHR (0.66) MAPK1TSHRESR2POLBKMT2A
SCHEMBL13753343 0.77 TSHR (0.72) MAPK1TSHRESR2POLBKMT2A
SCHEMBL13753401 0.77 HPGD (0.71) MAPK1TSHRESR2POLBKMT2A
SCHEMBL28474528 0.76 MAPK1 (0.55) MAPK1TSHRESR2POLBKMT2A
SCHEMBL8586880 0.76 MAPK1 (0.56) MAPK1TSHRESR2POLBKMT2A
SCHEMBL18118621 0.74 RAB9A (0.69) MAPK1TSHRESR2POLBKMT2A
Fenfuram SCHEMBL18978 0.74 SMN1; SMN2 (0.73) MAPK1ESR2POLBKMT2AMEN1
SCHEMBL13753464 0.74 HPGD (0.71) MAPK1TSHRESR2POLBKMT2A

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
EP-4249480-A1 DIPHENYLPYRAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Northwest A&F University (CN) 2023-09-27 EP disclosed