SCHEMBL7758063

SCHEMBL7758063

CC(/N=C(\NC#N)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 11/20 0.64
ABCC9 O60706 6/20 0.64
CYP3A4 P08684 2/20 0.61
ALDH1A1 P00352 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
ALOX15 P16050 1/20 0.61
NFKB1 P19838 1/20 0.61
MAPK1 P28482 1/20 0.61
CYP2C19 P33261 1/20 0.61
HIF1A Q16665 1/20 0.61
HSD17B10 Q99714 1/20 0.61
LMNA P02545 1/20 0.61
GLA P06280 1/20 0.61
BLM P54132 1/20 0.61
PMP22 Q01453 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
MAPT P10636 1/20 0.39
P2RX7 Q99572 2/20 0.38
GPR35 Q9HC97 1/20 0.37

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
SCHEMBL7758066 1.00 KCNJ11 (0.64) KCNJ11ABCC9CYP3A4ALDH1A1CYP1A2
SCHEMBL8134150 0.88 KCNJ11 (0.48) KCNJ11ABCC9CYP3A4ALDH1A1CYP1A2
SCHEMBL8134152 0.88 KCNJ11 (0.48) KCNJ11ABCC9CYP3A4ALDH1A1CYP1A2
SCHEMBL8143180 0.88 KCNJ11 (0.56) KCNJ11ABCC9CYP3A4ALDH1A1CYP1A2
SCHEMBL8143177 0.88 KCNJ11 (0.56) KCNJ11ABCC9CYP3A4ALDH1A1CYP1A2
SCHEMBL8140968 0.88 ABCC9 (0.71) KCNJ11ABCC9CYP3A4ALDH1A1CYP1A2
SCHEMBL8140969 0.88 ABCC9 (0.71) KCNJ11ABCC9CYP3A4ALDH1A1CYP1A2
SCHEMBL8140974 0.88 ABCC9 (0.71) KCNJ11ABCC9CYP3A4ALDH1A1CYP1A2
SCHEMBL9298614 0.87 KCNJ11 (0.72) KCNJ11ABCC9CYP3A4ALDH1A1CYP1A2
SCHEMBL9298619 0.87 KCNJ11 (0.72) KCNJ11ABCC9CYP3A4ALDH1A1CYP1A2

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-6147098-A USEFUL IN THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM, PULMONARY SYSTEM, GASTROINTESTINAL SYSTEM AND ENDOCRINOLOGIC SYSTEM NOVO NORDISK A/S (DK) 2000-11-14 US claimed
EP-1077933-A1 SUBSTITUTED GUANIDINES AND DIAMINONITROETHENES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2001-02-28 EP disclosed
US-6147098-A USEFUL IN THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM, PULMONARY SYSTEM, GASTROINTESTINAL SYSTEM AND ENDOCRINOLOGIC SYSTEM NOVO NORDISK A/S (DK) 2000-11-14 US disclosed
WO-1999058497-A1 SUBSTITUTED GUANIDINES AND DIAMINONITROETHENES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-11-18 WO disclosed