SCHEMBL1735899

SCHEMBL1735899

CSc1ccc(-c2nccc3c(C)c(C)n(CC=C(C)C)c23)cc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
MAPT P10636 3/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
JAK2 O60674 1/20 0.31

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
Hydrochloric Acid SCHEMBL1737493 0.99 KDM4E (0.32) KDM4EMAPTALDH1A1GAAJAK2
SCHEMBL1738894 0.88 MCL1 (0.34) JAK2
Hydrochloric Acid SCHEMBL1736952 0.87 MCL1 (0.34) JAK2
SCHEMBL1739006 0.86 RAB9A (0.36) KDM4EMAPTALDH1A1GAA
SCHEMBL1737425 0.86 IDO1 (0.34) KDM4EMAPTALDH1A1GAAJAK2
SCHEMBL1737685 0.86 PTGS1 (0.37) KDM4EALDH1A1GAAJAK2
SCHEMBL1737242 0.86 NQO2 (0.35) KDM4EALDH1A1JAK2
Hydrochloric Acid SCHEMBL1736223 0.85 PTGS1 (0.36) KDM4EALDH1A1GAAJAK2
Hydrochloric Acid SCHEMBL1736304 0.85 IDO1 (0.33) KDM4EMAPTALDH1A1GAAJAK2
Hydrochloric Acid SCHEMBL1736277 0.85 RAB9A (0.36) KDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed