SCHEMBL11440431

SCHEMBL11440431

CC[S+]([O-])c1ccc(Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.42
▸ EGFR P00533 1/20 0.41
▸ ERBB4 Q15303 1/20 0.41
▸ DHODH Q02127 1/20 0.41
▸ KDR P35968 13/20 0.40
▸ BRAF P15056 9/20 0.40
▸ JAK1 P23458 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ AURKA O14965 2/20 0.38
▸ LCK P06239 1/20 0.38
▸ IGF1R P08069 1/20 0.38
▸ EIF2AK2 P19525 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ BMX P51813 1/20 0.38

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
SCHEMBL11435538 0.78 EGFR (0.51) KMT2AEGFRERBB4AURKALCK
SCHEMBL850437 0.69 HTT (0.62) KMT2A
SCHEMBL11428715 0.65 RORC (0.37) KDR
SCHEMBL11433299 0.64 MPO (0.48) KMT2AEGFRERBB4KDR
SCHEMBL31642971 0.64 KMT2A (0.48) KMT2A
SCHEMBL11440590 0.63 MAP2K1 (0.47) KMT2AKDR
SCHEMBL4238203 0.62 PTPN1 (0.49) KMT2A
SCHEMBL4239432 0.62 ALDH1A1 (0.51) KMT2A
SCHEMBL11433590 0.62 MAPT (0.41) KMT2AKDRBRAFEPHX2
SCHEMBL31396398 0.62 ENPP3 (0.61) KMT2ADHODHEPHX2

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-4181519-A Diphenylamine derivative herbicides SHELL OIL COMPANY (US) 1980-01-01 — — US disclosed
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