SCHEMBL9003531

SCHEMBL9003531

O=[S+]Cc1cccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
KMT2A Q03164 1/20 0.41
FOLH1 Q04609 1/20 0.39
HNF4A P41235 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KCNA5 P22460 1/20 0.35
KCNH2 Q12809 1/20 0.35
CHRNB2 P17787 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
SCHEMBL9003585 0.84 CYP2C19 (0.38) MAPTALDH1A1ADORA2AADORA1HTR7
SCHEMBL8459429 0.79 PDCD1 (0.50) DPP4PDCD1CD274KMT2AFOLH1
SCHEMBL5139126 0.78 DPP4 (0.50) DPP4PDCD1CD274KMT2AFOLH1
Phosphine SCHEMBL9579776 0.77 PDCD1 (0.48) DPP4PDCD1CD274KMT2AFOLH1
SCHEMBL7204765 0.76 PDCD1 (0.62) DPP4PDCD1CD274KMT2AFOLH1
SCHEMBL11333158 0.76 IDO1 (0.46) DPP4PDCD1CD274KMT2AFOLH1
SCHEMBL27522250 0.75 DPP4 (0.47) DPP4PDCD1CD274KMT2AFOLH1
SCHEMBL6701461 0.75 DPP4 (0.47) DPP4PDCD1CD274KMT2AFOLH1
SCHEMBL27649925 0.75 DPP4 (0.69) DPP4PDCD1CD274KMT2AFOLH1
SCHEMBL2925420 0.74 AKR1B1 (0.52) DPP4PDCD1CD274KMT2AFOLH1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5500453-A INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS TOYO INK MANUFACTURING CO., LTD. (JP) 1996-03-19 US disclosed