SCHEMBL9505827

SCHEMBL9505827

Sc1ccc2c(c1)nnn2-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.66
KDM4E B2RXH2 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.47
DHODH Q02127 1/20 0.41
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 2/20 0.38
KCNMA1 Q12791 2/20 0.37
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
TNKS O95271 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35

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
SCHEMBL3807006 0.79 NPC1 (0.66) NPC1KDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL19911581 0.79 NPC1 (1.00) NPC1KDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL19911612 0.79 NPC1 (0.66) NPC1KDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL18167005 0.79 KDM4E (0.66) NPC1KDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL19848194 0.79 NPC1 (0.60) NPC1KDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL18393241 0.79 SMN1; SMN2 (0.54) NPC1KDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL165333 0.77 SMN1; SMN2 (0.71) NPC1KDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL13610401 0.76 KDM4E (0.60) NPC1KDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL19848254 0.76 L3MBTL1 (0.60) NPC1KDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL9524603 0.76 L3MBTL1 (0.60) NPC1KDM4EL3MBTL1ALDH1A1SMN1; SMN2

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-4241168-A TWO-EQUIVALENT MAGENTA COUPLER FUJI PHOTO FILM CO., LTD. (JP) 1980-12-23 US disclosed
US-4220470-A TWO-EQUIVALENT COUPLERS FUJI PHOTO FILM CO., LTD. (JP) 1980-09-02 US disclosed
US-4040835-A Two-equivalent magenta couplers with amido coupling-off groups FUJI PHOTO FILM CO., LTD. (JA) 1977-08-09 US disclosed