SCHEMBL9505772

SCHEMBL9505772

O=Cc1c(-c2cccs2)n(-c2ccccc2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 7/20 0.49
HPGD P15428 7/20 0.49
POLB P06746 4/20 0.49
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
ESR2 Q92731 1/20 0.39
HSD17B10 Q99714 2/20 0.38
CHRNE Q04844 1/20 0.38
DPP4 P27487 1/20 0.38
PPARG P37231 2/20 0.38

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
SCHEMBL6748554 0.79 ALDH1A1 (0.64) ALDH1A1KDM4EPOLBLMNAL3MBTL1
SCHEMBL15085214 0.75 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDPOLBLMNA
SCHEMBL28220083 0.73 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDPOLBLMNA
SCHEMBL29954953 0.71 KDM4E (0.52) ALDH1A1KDM4EPOLBLMNASMN1; SMN2
SCHEMBL2343158 0.71 KDM4E (0.52) ALDH1A1KDM4EPOLBLMNASMN1; SMN2
SCHEMBL22443301 0.71 L3MBTL1 (0.52) ALDH1A1KDM4EHPGDPOLBLMNA
SCHEMBL9509638 0.70 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDPOLBLMNA
SCHEMBL9505790 0.70 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDPOLBLMNA
SCHEMBL9737954 0.68 L3MBTL1 (0.47) ALDH1A1KDM4EHPGDPOLBLMNA
SCHEMBL15082789 0.68 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDPOLBLMNA

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
EP-0296873-B1 DIRECT POSITIVE DIMETHINE CYANINE DYES CONTAINING 1-ARYL-2-HETEROARYL INDOLE NUCLEUS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-09-08 EP disclosed
US-5004812-A Phenyl-pyridyl-indole Intermediates For Desensitizing Dyes E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-04-02 US disclosed
US-4927933-A PHOTOGRAPHIC FILMS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-05-22 US disclosed
US-4839271-A SENSITIZERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-06-13 US disclosed