SCHEMBL6991944

SCHEMBL6991944

COC(=O)c1cc2c(s1)SCC(=O)N2Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GSK3B P49841 3/20 0.48
GSK3A P49840 2/20 0.48
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP2C9 P11712 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL6993171 0.89 GSK3A (0.54) SMN1; SMN2KMT2AGSK3BGSK3ACYP2C19
SCHEMBL6989440 0.89 ALDH1A1 (0.50) KCNN4SMN1; SMN2KMT2AKDM4EGSK3B
SCHEMBL6991096 0.89 GSK3A (0.46) SMN1; SMN2KMT2AKDM4EGSK3BGSK3A
SCHEMBL31411665 0.86 KCNN4 (0.42) KCNN4SMN1; SMN2KMT2AKDM4EGSK3B
SCHEMBL31411679 0.85 KCNN4 (0.42) KCNN4SMN1; SMN2KMT2AKDM4EGSK3B
SCHEMBL6991118 0.85 GSK3A (0.51) SMN1; SMN2KMT2AGSK3BGSK3ACYP2C19
SCHEMBL31411767 0.84 ALDH1A1 (0.52) KCNN4SMN1; SMN2KMT2AKDM4ECYP2C19
SCHEMBL6996076 0.83 ALDH1A1 (0.41) KCNN4SMN1; SMN2KDM4ECYP2C19CYP1A2
SCHEMBL31411715 0.83 ALDH1A1 (0.52) SMN1; SMN2KMT2AKDM4ENPSR1MAPT
SCHEMBL31411669 0.82 SMN1; SMN2 (0.48) KCNN4SMN1; SMN2KMT2AKDM4EGSK3B

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