SCHEMBL7833799

SCHEMBL7833799

CCOC(=O)Nc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDR P35968 4/20 0.35
KCNQ3 O43525 3/20 0.35
KCNQ2 O43526 3/20 0.35
KCNQ4 P56696 2/20 0.35
KCNQ5 Q9NR82 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GPR35 Q9HC97 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EGFR P00533 3/20 0.34
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL7831775 0.90 GPR35 (0.47) KMT2AALDH1A1GPR35HPGD
SCHEMBL27692741 0.90 DHODH (0.33) KMT2AALDH1A1SMN1; SMN2
SCHEMBL27674195 0.86 DHODH (0.33) HPGD
SCHEMBL7687900 0.86 KMT2A (0.36) KMT2AALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL7831772 0.85 TSHR (0.31) GPR35
SCHEMBL6336900 0.83 BAZ2B (0.46) ALDH1A1CYP1A2CYP2C19SMN1; SMN2KDM4E
SCHEMBL27692739 0.82 GPR35 (0.38) KMT2ACYP1A2GPR35
SCHEMBL7951096 0.82 BRD9 (0.31)
SCHEMBL7687274 0.81 ALDH1A1 (0.31) ALDH1A1CYP1A2
SCHEMBL10697216 0.81 ITGB1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0563384-B1 URACIL DERIVATIVE NISSAN CHEMICAL IND LTD (JP) 2001-10-04 EP disclosed
US-5356863-A Herbicides NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1994-10-18 US disclosed
EP-0563384-A1 URACIL DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1993-10-06 EP disclosed