SCHEMBL6994819

SCHEMBL6994819

CCCC=C1CCCCc2sc(C#N)cc21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL6994809 1.00 PNMT (0.33) PNMTLMNAMAPK1ALDH1A1CYP1A2
SCHEMBL6997401 0.74 ALDH1A1 (0.48) LMNAMAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL6997398 0.74 ALDH1A1 (0.48) LMNAMAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL6989672 0.73 ALDH1A1 (0.36) PNMTLMNAMAPK1ALDH1A1CYP1A2
SCHEMBL6989675 0.73 ALDH1A1 (0.36) PNMTLMNAMAPK1ALDH1A1CYP1A2
SCHEMBL6994524 0.71 DAO (0.48) LMNAMAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL6994520 0.71 DAO (0.48) LMNAMAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL7974066 0.70 KMT2A (0.35) LMNAMAPK1ALDH1A1NPSR1
SCHEMBL6992144 0.70 CYP19A1 (0.48)
SCHEMBL6992142 0.70 CYP19A1 (0.48)

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-0927177-B1 NOVEL BENZOTHIOPHENE DERIVATIVES, THEIR PREPARATION AND USE AS UROKINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2003-11-26 EP disclosed
US-6274619-B1 FUSED AMIDINO TYPE COMPOUNDS SUCH AS 4-(N-BUTYLCARBAMOYLMETHYLIDENE)-2-AMIDINO-4,5,6,7-TETRAHYDROBE NZO(B)THIOPHENE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-14 US disclosed
US-6093710-A AN ENZYME INHIBITOR TREATING ANGIOGENESIS, ARTHRITIS, INFLAMMATION, METASTASIS, OSTEOPOROSIS, TUMORSANGIOGENESIS-DEPENDENT RETINOPATHIES, CONTRACEPTIVE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-25 US disclosed