SCHEMBL9713586

SCHEMBL9713586

CC(C)(C)c1cc(NC(=O)c2c(Cl)cccc2Cl)no1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.68
MAPK14 Q16539 1/20 0.65
KMT2A Q03164 4/20 0.64
HTT P42858 4/20 0.64
MEN1 O00255 3/20 0.64
MAPT P10636 3/20 0.64
NPSR1 Q6W5P4 1/20 0.64
NPC1 O15118 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CNR1 P21554 1/20 0.57
CNR2 P34972 1/20 0.57
ATM Q13315 1/20 0.56
EGFR P00533 1/20 0.56
PKM P14618 1/20 0.55
TSHR P16473 1/20 0.55
POLB P06746 2/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 2/20 0.53
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL13234774 0.89 FLT3 (0.69) RAB9AMAPK14KMT2AHTTMEN1
SCHEMBL13200590 0.84 FLT3 (0.62) RAB9AMAPK14KMT2AHTTMEN1
SCHEMBL9712857 0.81 CYP1A2 (0.70) RAB9AMAPK14KMT2AHTTMEN1
SCHEMBL11105052 0.78 FLT3 (0.78) RAB9AMAPK14KMT2AHTTMEN1
SCHEMBL13234398 0.78 KMT2A (1.00) RAB9AMAPK14KMT2AHTTMEN1
SCHEMBL9713058 0.77 MAPK14 (0.66) RAB9AMAPK14MAPTNPSR1SMN1; SMN2
SCHEMBL15427059 0.76 SMN1; SMN2 (0.68) RAB9AMAPK14KMT2AHTTMEN1
SCHEMBL16779940 0.76 SMN1; SMN2 (0.67) RAB9AKMT2AHTTMEN1MAPT
SCHEMBL31224659 0.76 SMN1; SMN2 (0.67) RAB9AMAPK14KMT2AHTTMEN1
SCHEMBL11158107 0.76 EGFR (0.69) RAB9AMAPK14KMT2AHTTMEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5086184-A Herbicides DOWELANCO (US) 1992-02-04 US disclosed
US-4943634-A HERBICIDES ELI LILLY AND COMPANY (US) 1990-07-24 US disclosed
US-4801718-A HERBICIDES ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
US-4636243-A HERBICIDES ISOXAZOLES ELI LILLY AND COMPANY (US) 1987-01-13 US disclosed
US-4515625-A HERBICIDES ELI LILLY AND COMPANY (US) 1985-05-07 US disclosed
EP-0049071-B1 N-ARYLBENZAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1984-12-19 EP disclosed
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed
EP-0049071-A1 N-arylbenzamide derivatives ELI LILLY AND COMPANY (US) 1982-04-07 EP disclosed