SCHEMBL9540486

SCHEMBL9540486

C=CCNC(=O)c1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
POLB P06746 1/20 0.41
P2RX7 Q99572 5/20 0.39
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 3/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LIPG Q9Y5X9 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL9263571 0.89 HPGD (0.36) HPGDCYP1A2CYP3A4CYP2C19POLB
SCHEMBL9878734 0.86 HPGD (0.53) HPGDCYP1A2CYP3A4CYP2C19POLB
SCHEMBL9170693 0.86 HPGD (0.34) HPGDCYP1A2CYP3A4CYP2C19POLB
SCHEMBL9878117 0.83 HPGD (0.42) HPGDCYP1A2CYP3A4CYP2C19POLB
SCHEMBL9796348 0.82 TDP1 (0.33) POLBP2RX7ALDH1A1
SCHEMBL9263565 0.82 HPGD (0.47) HPGDCYP1A2CYP3A4CYP2C19POLB
Ethylene SCHEMBL9423310 0.81 TDP1 (0.39) HPGDPOLBP2RX7ALDH1A1MEN1
SCHEMBL9423041 0.81 TDP1 (0.40) HPGDPOLBP2RX7ALDH1A1MEN1
SCHEMBL29576263 0.81 TDP1 (0.40) HPGDPOLBP2RX7ALDH1A1MEN1
SCHEMBL9168174 0.81 TDP1 (0.40) HPGDPOLBP2RX7ALDH1A1MEN1

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
WO-1993011669-A1 USE OF 3-PHENYLURACIL DERIVATIVES FOR THE DESICCATION AND ABSCISSION OF PLANT PARTS BASF AKTIENGESELLSCHAFT (DE) 1993-06-24 WO disclosed