SCHEMBL9539264

SCHEMBL9539264

Cc1cccc(N(C(=O)CCl)C(C)C)c1C.Cc1cccc(N(C(=O)CCl)C(C)C)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
TP53 P04637 5/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
RXRA P19793 2/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
THRB P10828 1/20 0.37
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
AVPR2 P30518 1/20 0.35
OXTR P30559 1/20 0.35

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
SCHEMBL134547 1.00 ALDH1A1 (0.55) ALDH1A1TP53LMNASMN1; SMN2RXRA
SCHEMBL30382371 1.00 ALDH1A1 (0.55) ALDH1A1TP53LMNASMN1; SMN2RXRA
SCHEMBL11019630 0.85 ALDH1A1 (0.43) ALDH1A1TP53LMNASMN1; SMN2RXRA
Sulfanilamide SCHEMBL17029027 0.85 ALDH1A1 (0.42) ALDH1A1TP53LMNASMN1; SMN2KMT2A
SCHEMBL9211321 0.83 THRB (0.55) ALDH1A1TP53LMNASMN1; SMN2RXRA
Vernolate SCHEMBL9741348 0.82 ALDH1A1 (0.41) ALDH1A1TP53LMNASMN1; SMN2RXRA
SCHEMBL9211911 0.81 ALDH1A1 (0.63) ALDH1A1TP53LMNASMN1; SMN2MEN1
SCHEMBL9292337 0.78 ALDH1A1 (0.48) ALDH1A1TP53LMNASMN1; SMN2MEN1
SCHEMBL3693938 0.77 ALDH1A1 (0.62) ALDH1A1TP53LMNASMN1; SMN2RXRA
SCHEMBL7768212 0.76 ALDH1A1 (0.61) ALDH1A1TP53LMNASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993003020-A1 HERBICIDAL QUINOXALINYLOXY ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-02-18 WO disclosed
WO-1992020684-A1 HERBICIDAL OXATRICYCLIC ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-11-26 WO disclosed
EP-0463054-A1 SELECTIVE OXABICYCLOALKANES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-01-02 EP disclosed
WO-1991010653-A1 HERBICIDAL PYRIMIDINES AND TRIAZINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-07-25 WO disclosed
WO-1991003464-A1 HERBICIDAL OXABICYCLO ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-03-21 WO disclosed
WO-1990012012-A1 SUBSTITUTED PHENYLTRIAZOLOPYRIMIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-10-18 WO disclosed
WO-1990010634-A1 SELECTIVE OXABICYCLOALKANES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-09-20 WO disclosed