SCHEMBL4200752

SCHEMBL4200752

C=Cc1ccccc1CSCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAOB P27338 1/20 0.35
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
PKM P14618 1/20 0.33
EGFR P00533 1/20 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
SCHEMBL4631666 0.90 CYP1A2 (0.43) CYP2C19CYP1A2CYP2C9CYP3A4CYP2D6
SCHEMBL14732602 0.79 ALDH1A1 (0.38) CYP2C19CYP1A2CYP2C9CYP3A4CYP2D6
SCHEMBL11424798 0.76 CYP1A2 (0.37) CYP2C19CYP1A2CYP2C9CYP3A4CYP2D6
SCHEMBL14732601 0.76 CYP1A2 (0.36) CYP2C19CYP1A2CYP2C9CYP3A4CYP2D6
SCHEMBL9067798 0.76 ALDH1A1 (0.35) CYP2C19CYP1A2CYP2C9CYP2D6ALDH1A1
SCHEMBL163961 0.76 CALM1 (0.46) ALDH1A1SMN1; SMN2PTGER1PTGER4PTGER3
SCHEMBL19539346 0.76 ALDH1A1 (0.41) CYP2C19CYP1A2CYP2C9CYP3A4CYP2D6
SCHEMBL11520650 0.75 RIPK1 (0.40) CYP2C19CYP1A2CYP2C9CYP2D6ALDH1A1
SCHEMBL5073359 0.75 MAPT (0.45) ALDH1A1MAPTSMN1; SMN2MAOBIDO1
SCHEMBL7206071 0.75 ALDH1A1 (0.40) ALDH1A1LMNAPTGER3PTGER2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8298726-B2 Volume phase hologram recording material and optical information recording medium NIPPON STEEL CHEMICAL CO., LTD. (JP) 2012-10-30 US claimed
EP-2110718-B1 VOLUME PHASE HOLOGRAM RECORDING MATERIAL AND OPTICAL INFORMATION RECORDING MEDIUM NIPPON STEEL CHEMICAL CO (JP) 2012-10-10 EP claimed
US-20090310196-A1 VOLUME PHASE HOLOGRAM RECORDING MATERIAL AND OPTICAL INFORMATION RECORDING MEDIUM NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2009-12-17 US claimed
EP-2110718-A1 VOLUME PHASE HOLOGRAM RECORDING MATERIAL AND OPTICAL INFORMATION RECORDING MEDIUM Nippon Steel Chemical Co., Ltd. (JP) 2009-10-21 EP claimed
US-20140349218-A1 PHOTOSENSITIVE MATERIAL, HOLOGRAPHIC RECORDING MEDIUM AND HOLOGRAPHIC RECORDING METHOD NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD (JP) 2014-11-27 US disclosed
US-8298726-B2 Volume phase hologram recording material and optical information recording medium NIPPON STEEL CHEMICAL CO., LTD. (JP) 2012-10-30 US disclosed
EP-2110718-B1 VOLUME PHASE HOLOGRAM RECORDING MATERIAL AND OPTICAL INFORMATION RECORDING MEDIUM NIPPON STEEL CHEMICAL CO (JP) 2012-10-10 EP disclosed
US-20090310196-A1 VOLUME PHASE HOLOGRAM RECORDING MATERIAL AND OPTICAL INFORMATION RECORDING MEDIUM NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2009-12-17 US disclosed
EP-2110718-A1 VOLUME PHASE HOLOGRAM RECORDING MATERIAL AND OPTICAL INFORMATION RECORDING MEDIUM Nippon Steel Chemical Co., Ltd. (JP) 2009-10-21 EP disclosed