SCHEMBL7908164

SCHEMBL7908164

COc1cc(C)c(Cl)cc1NC(=S)Nc1ccc(NC(=O)c2cc(F)ccc2F)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.50
KDM4E B2RXH2 7/20 0.49
KMT2A Q03164 5/20 0.49
LMNA P02545 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HPGD P15428 4/20 0.47
HTT P42858 2/20 0.47
THRB P10828 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPT P10636 10/20 0.47
MEN1 O00255 3/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL6814740 0.92 ALDH1A1 (0.59) ALDH1A1KDM4EKMT2ALMNANPC1
SCHEMBL6815849 0.89 ALDH1A1 (0.64) ALDH1A1KDM4EKMT2ALMNANPC1
SCHEMBL7908169 0.84 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2ALMNANPC1
SCHEMBL6814577 0.84 POLB (0.55) ALDH1A1KDM4EKMT2ALMNANPC1
SCHEMBL6816079 0.84 ALDH1A1 (0.59) ALDH1A1KDM4EKMT2ALMNANPC1
SCHEMBL6816217 0.83 ALDH1A1 (0.57) ALDH1A1KDM4EKMT2ALMNANPC1
SCHEMBL6815021 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EKMT2ALMNANPC1
SCHEMBL6815013 0.82 ALDH1A1 (0.64) ALDH1A1KDM4EKMT2ALMNANPC1
SCHEMBL6816341 0.82 ALDH1A1 (0.63) ALDH1A1KDM4EKMT2ALMNANPC1
SCHEMBL6814872 0.81 ALDH1A1 (0.60) ALDH1A1KDM4EKMT2ALMNAHPGD

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
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed