SCHEMBL11036041

SCHEMBL11036041

O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(-c2ccc(Cl)cc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
ALDH1A1 P00352 1/20 0.54
PKM P14618 1/20 0.54
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
BRD4 O60885 1/20 0.50
DEGS1 O15121 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
MET P08581 2/20 0.47
LMNA P02545 1/20 0.45
IL2 P60568 1/20 0.45
SCN9A Q15858 1/20 0.44

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
SCHEMBL8663087 0.94 RAB9A (0.51) SMN1; SMN2RAB9ANPC1ALDH1A1PKM
SCHEMBL8659238 0.90 RAB9A (0.65) SMN1; SMN2RAB9ANPC1ALDH1A1PKM
SCHEMBL11012517 0.88 RAB9A (0.55) SMN1; SMN2RAB9ANPC1ALDH1A1PKM
SCHEMBL8656265 0.88 RAB9A (0.49) SMN1; SMN2RAB9ANPC1ALDH1A1PKM
SCHEMBL11096424 0.84 RAB9A (0.61) SMN1; SMN2RAB9ANPC1ALDH1A1PKM
SCHEMBL11011327 0.82 ATM (0.51) SMN1; SMN2RAB9ANPC1DEGS1KMT2A
SCHEMBL11176913 0.82 IL2 (0.47) SMN1; SMN2RAB9ANPC1ALDH1A1PKM
SCHEMBL11237470 0.81 MEN1 (0.51) SMN1; SMN2RAB9ANPC1ALDH1A1PKM
SCHEMBL8672283 0.81 MEN1 (0.50) SMN1; SMN2RAB9ANPC1ALDH1A1PKM
SCHEMBL11015466 0.80 RAB9A (0.55) RAB9ANPC1DEGS1KMT2AMEN1

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-4405552-A INSECTICIDES ELI LILLY AND COMPANY (US) 1983-09-20 US claimed
US-4508722-A 1-Benzoyl-3-(arylpyridyl)urea compounds ELI LILLY AND COMPANY (US) 1985-04-02 US disclosed
US-4405552-A INSECTICIDES ELI LILLY AND COMPANY (US) 1983-09-20 US disclosed
EP-0060071-A1 Improvements in or relating to 1-benzoyl-3-(arylpyridyl)urea compounds ELI LILLY AND COMPANY (US) 1982-09-15 EP disclosed