SCHEMBL7989160

SCHEMBL7989160

CCOC(=O)NC(=N)c1cc[c]c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
KLKB1 P03952 2/20 0.37
GAA P10253 1/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPK1 P28482 1/20 0.35
NLRP3 Q96P20 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL7992358 0.90 HPGD (0.44) CYP1A2CYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL7985688 0.87 RAB9A (0.46) KDM4ECYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7975142 0.87 HPGD (0.32) KDM4EHPGDALDH1A1LMNAHSD17B10
SCHEMBL7989636 0.86 KDM4E (0.39) KDM4ECYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7988467 0.84 SMN1; SMN2 (0.40) KDM4ECYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7988714 0.83 KDM4E (0.40) KDM4ECYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7986786 0.80
SCHEMBL7988689 0.80 ALDH1A1 (0.39) KDM4ECYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL3149483 0.78 CA12 (0.51) KDM4ECYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7989503 0.77 CYP1A2 (0.40) KDM4ECYP1A2GAAHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed