SCHEMBL9645294

SCHEMBL9645294

NNC(=Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.50
AKR1C1 Q04828 1/20 0.48
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
MCL1 Q07820 1/20 0.43
RECQL P46063 1/20 0.43
TP53 P04637 1/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.41
HAO1 Q9UJM8 1/20 0.40
HDAC3 O15379 1/20 0.39

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
SCHEMBL13879068 0.79 AKR1C3 (0.55) AKR1C3AKR1C1CYP3A4CYP2C9MEN1
SCHEMBL8993857 0.79 AKR1C3 (0.50) AKR1C3AKR1C1CYP3A4CYP2C9MEN1
SCHEMBL1070872 0.79 AKR1C3 (0.55) AKR1C3AKR1C1CYP3A4CYP2C9MEN1
SCHEMBL13715317 0.78 MEN1 (0.51) AKR1C3AKR1C1CYP3A4CYP2C9MEN1
SCHEMBL15969887 0.78 AKR1C3 (0.48) AKR1C3AKR1C1CYP3A4CYP2C9MEN1
SCHEMBL28611640 0.78 MAPT (0.58) AKR1C3AKR1C1MEN1KMT2AMAPT
SCHEMBL15052966 0.78 AKR1C3 (0.48) AKR1C3AKR1C1CYP3A4CYP2C9MEN1
SCHEMBL14130850 0.78 AKR1C3 (0.48) AKR1C3AKR1C1CYP3A4CYP2C9MEN1
SCHEMBL8303279 0.77 AKR1C3 (0.44) AKR1C3AKR1C1CYP3A4CYP2C9MEN1
SCHEMBL388143 0.76 AKR1C3 (0.57) AKR1C3AKR1C1MEN1KMT2AMAPT

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
EP-0379911-B1 N-PHENYL TETRAHYDROINDAZOLE DERIVATIVES BASF Aktiengesellschaft (DE) 1992-12-02 EP claimed
US-4990174-A N-phenyltetrahydroindazole derivatives herbicidal compositions and use BASF AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed