SCHEMBL8796437

SCHEMBL8796437

c1ccc2c(C3NCCS3)cccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.43
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MTNR1A P48039 2/20 0.41
IDO1 P14902 1/20 0.41
CYP2D6 P10635 2/20 0.40
ALDH1A1 P00352 1/20 0.39
SLC6A4 P31645 6/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
ERN1 O75460 1/20 0.35
MTNR1B P49286 1/20 0.35
DRD2 P14416 1/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
CYP1A2 P05177 1/20 0.34
HTR1A P08908 1/20 0.34
NCF1 P14598 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL6828622 0.81 ALDH1A1 (0.43) MAPTTDP1SMN1; SMN2IDO1CYP2D6
SCHEMBL10800761 0.76 MTNR1A (0.50) KDM1AMAPTTDP1MTNR1AIDO1
SCHEMBL7744554 0.75 MAPT (0.53) KDM1AMAPTTDP1SMN1; SMN2ALDH1A1
SCHEMBL3396242 0.75 MAPT (0.53) KDM1AMAPTTDP1SMN1; SMN2ALDH1A1
SCHEMBL27288856 0.75 SMN1; SMN2 (0.51) MAPTTDP1SMN1; SMN2ALDH1A1SLC6A3
SCHEMBL8951248 0.75 MAPT (0.44) MAPTTDP1SMN1; SMN2CYP2D6ALDH1A1
SCHEMBL11129658 0.74 MECP2 (0.49) MAPTTDP1SMN1; SMN2ALDH1A1ERN1
SCHEMBL13811323 0.74 KDM1A (0.52) KDM1AMAPTTDP1MTNR1AIDO1
SCHEMBL27999354 0.74 KDM1A (0.52) KDM1AMAPTTDP1MTNR1AIDO1
SCHEMBL10640806 0.72 KDM1A (0.50) KDM1AMAPTTDP1MTNR1AIDO1

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-0772607-A1 WATER-SOLUBLE METHINE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CANCER COMPRISING THE SAME FUJI PHOTO FILM CO., LTD. (JP) 1997-05-14 EP claimed
US-5599825-A ANTITUMOR AGENTS FUJI PHOTO FILM CO., LTD. (JP) 1997-02-04 US claimed
WO-1996003393-A1 WATER-SOLUBLE METHINE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CANCER COMPRISING THE SAME FUJI PHOTO FILM CO., LTD. (JP) 1996-02-08 WO claimed
EP-0530827-A2 Image forming process FUJI PHOTO FILM CO., LTD. (JP) 1993-03-10 EP disclosed