SCHEMBL9258673

SCHEMBL9258673

O=C(Nc1ccccc1)c1cscc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.58
ALDH1A1 P00352 1/20 0.53
SMO Q99835 2/20 0.53
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
HPGD P15428 3/20 0.51
LMNA P02545 2/20 0.51
TP53 P04637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TMPRSS4 Q9NRS4 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
MAPT P10636 2/20 0.49
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL15902456 0.82 DHODH (0.81) DHODHALDH1A1MEN1KMT2AHPGD
SCHEMBL5551977 0.79 DHODH (0.58) DHODHALDH1A1MEN1KMT2AHPGD
SCHEMBL1203522 0.78 SMO (0.80) ALDH1A1SMOMEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL5025183 0.78 DHODH (0.56) DHODHALDH1A1MEN1KMT2AHPGD
Water SCHEMBL27602058 0.77 SMO (0.77) ALDH1A1SMOMEN1KMT2AHPGD
SCHEMBL8009293 0.76 PPARG (0.58) ALDH1A1SMOMEN1KMT2AHPGD
SCHEMBL3984497 0.76 DHODH (0.54) DHODHALDH1A1MEN1KMT2AHPGD
SCHEMBL437231 0.75 ALDH1A1 (0.87) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL9044381 0.75 DHODH (0.69) DHODHALDH1A1KMT2ALMNAHTT
SCHEMBL3788790 0.74 ALDH1A1 (0.66) ALDH1A1SMOMEN1KMT2AHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5386036-A Plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1995-01-31 US disclosed
US-5276009-A Dicarboximides and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 1994-01-04 US disclosed
US-5258357-A Carboxamides, their preparation and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 1993-11-02 US disclosed
US-5201934-A Carboxamides and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 1993-04-13 US disclosed