SCHEMBL11865005

SCHEMBL11865005

O=C(Nc1cccc(C(F)(F)F)c1)Nc1nnc(C(F)(F)F)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.62
HTT P42858 2/20 0.62
RAB9A P51151 1/20 0.62
LMNA P02545 2/20 0.62
MITF O75030 1/20 0.62
XBP1 P17861 1/20 0.62
PAX8 Q06710 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
NOD2 Q9HC29 1/20 0.62
GAA P10253 2/20 0.61
TP53 P04637 2/20 0.57
POLB P06746 1/20 0.57
ALDH1A1 P00352 1/20 0.57
NCOA1 Q15788 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53

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
SCHEMBL11871745 0.87 MTOR (0.58) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL11872659 0.87 LMNA (0.56) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL11873631 0.86 LMNA (0.67) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL11861094 0.86 NPC1 (0.61) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL11875075 0.85 NPC1 (0.62) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL11870259 0.84 EPHX2 (0.63) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL11868819 0.83 DYRK1A (0.64) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL11859503 0.82 KMT2A (0.61) MAPTKMT2AMEN1HTTLMNA
SCHEMBL12204412 0.82 NCOA1 (0.64) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL5597699 0.82 KMT2A (0.90) MAPTKMT2AMEN1HTTRAB9A

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-3990879-A SUBSTITUTED 1-THIADIAZOLYL-3-ARYL-UREAS ELI LILLY AND COMPANY (US) 1976-11-09 US disclosed