SCHEMBL5545684

SCHEMBL5545684

CC1(C)C2CCC1(CS)C(=O)C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ F2 P00734 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ PRSS2 P07478 1/20 0.41
▸ PRSS3 P35030 1/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA5A P35218 2/20 0.41
▸ CA5B Q9Y2D0 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL13761872 0.84 KMT2A (0.58) CYP1A2CYP2C19KMT2AMEN1ALDH1A1
SCHEMBL25680749 0.84 KMT2A (0.58) CYP1A2CYP2C19KMT2AMEN1ALDH1A1
SCHEMBL4082964 0.84 KMT2A (0.58) CYP1A2CYP2C19KMT2AMEN1ALDH1A1
SCHEMBL12670995 0.84 KMT2A (0.58) CYP1A2CYP2C19KMT2AMEN1ALDH1A1
SCHEMBL12503382 0.84 KMT2A (0.58) CYP1A2CYP2C19KMT2AMEN1ALDH1A1
SCHEMBL12996955 0.84 KMT2A (0.58) CYP1A2CYP2C19KMT2AMEN1ALDH1A1
SCHEMBL135905 0.83 CYP1A2 (0.61) CYP1A2CYP2C19CYP2D6CYP2C9KMT2A
SCHEMBL31460514 0.83 CYP1A2 (0.61) CYP1A2CYP2C19CYP2D6CYP2C9KMT2A
Camphor SCHEMBL5467771 0.79 KMT2A (0.67) CYP1A2CYP2C19CYP2D6CYP2C9KMT2A
SCHEMBL3200999 0.78 CYP1A2 (0.55) CYP1A2CYP2C19CYP2D6CYP2C9KMT2A

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
US-20070083021-A1 Fluorocopolymer, method for its production and resist composition containing it ASAHI GLASS COMPANY, LIMITED (JP) 2007-04-12 — — US disclosed
EP-0967522-B1 Positive photosensitive resin composition FUJI PHOTO FILM CO LTD (JP) 2003-02-19 — — EP disclosed
US-6159656-A Positive photosensitive resin FUJI PHOTO FILM CO., LTD. (JP) 2000-12-12 — — US disclosed
EP-0967522-A1 Positive photosensitive resin composition FUJI PHOTO FILM CO., LTD. (JP) 1999-12-29 — — EP disclosed
Send feedback