SCHEMBL6989440

SCHEMBL6989440

COC(=O)c1cc2c(s1)SCC(=O)N2CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GSK3A P49840 2/20 0.48
GSK3B P49841 2/20 0.48
KCNN4 O15554 2/20 0.42
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.41
PAX8 Q06710 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL6996615 0.90 GSK3A (0.53) ALDH1A1LMNASMN1; SMN2GSK3AGSK3B
SCHEMBL6991944 0.89 KCNN4 (0.48) ALDH1A1LMNASMN1; SMN2NPSR1GSK3A
SCHEMBL6991542 0.85 PAX8 (0.59) ALDH1A1LMNASMN1; SMN2NPSR1KDM4E
SCHEMBL6996093 0.85 GSK3A (0.51) ALDH1A1LMNASMN1; SMN2GSK3AGSK3B
SCHEMBL6992255 0.83 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2NPSR1KMT2A
SCHEMBL7462849 0.82 GSK3A (0.50) ALDH1A1LMNAGSK3AGSK3BKMT2A
SCHEMBL6990888 0.82 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPSR1KCNN4KDM4E
Hydrochloric Acid SCHEMBL6998534 0.81 GSK3A (0.49) ALDH1A1LMNAGSK3AGSK3BKMT2A
SCHEMBL6996076 0.81 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2NPSR1KCNN4
Hydrochloric Acid SCHEMBL6990846 0.81 GSK3A (0.45) ALDH1A1LMNASMN1; SMN2NPSR1GSK3A

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