SCHEMBL8970523

SCHEMBL8970523

CCC(CC)(CCP(=O)(O)O)NC(=O)Nc1cccc(-c2c(S)nnn2C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.37
HTR2A P28223 2/20 0.36
FGFR3 P22607 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
MGLL Q99685 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TSHR P16473 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
UBE2N P61088 1/20 0.33
PAX8 Q06710 1/20 0.33
LMNA P02545 1/20 0.33
AKR1C3 P42330 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 3/20 0.33

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
SCHEMBL8971107 0.74 SMN1; SMN2 (0.50) NPC1RAB9ARXFP1TSHRSMN1; SMN2
SCHEMBL8970500 0.74 TP53 (0.40) FGFR3CYP2D6HPGDALDH1A1MAPT
SCHEMBL8971094 0.70 CYP1A2 (0.51) CYP3A4NPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL10596558 0.59 EPHX1 (0.54) CYP2C19NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL4605215 0.58 CCR3 (0.60) CYP2D6MEN1KMT2ACCR3
SCHEMBL27589483 0.57 CCR3 (0.53) MAPK14CYP2D6CCR3
SCHEMBL6202409 0.56 HTR2A (0.74) HTR2A
SCHEMBL25200778 0.56 HDAC3 (0.47) CYP3A4CYP2D6CYP2C19MGLLNPC1
SCHEMBL6201643 0.56 HTR2A (0.79) HTR2A
SCHEMBL4382331 0.56 CNR1 (0.46) MAPK14CYP3A4MGLLNPC1RAB9A

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-0426112-B1 Silver halide photographic material FUJI PHOTO FILM CO LTD (JP) 1996-02-28 EP disclosed
US-5151357-A Light sensitive elements with phosphonate groups FUJI PHOTO FILM CO., LTD. (JP) 1992-09-29 US disclosed
EP-0426112-A1 Silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1991-05-08 EP disclosed