SCHEMBL7991969

SCHEMBL7991969

Cc1ccc(-c2c(C(=O)Nc3nccs3)nc(-c3cccc4ccccc34)n2CCN2CCOCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CASR P41180 1/20 0.44
CYP2D6 P10635 1/20 0.43
ADORA2A P29274 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DHFR P00374 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.41
HPGDS O60760 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
SCHEMBL7995289 0.88 TRPV4 (0.50) TRPV4MEN1KMT2ALMNAKDM4E
Hydrochloric Acid SCHEMBL7977959 0.87 TRPV4 (0.49) TRPV4MEN1KMT2ALMNAKDM4E
SCHEMBL7995063 0.84 SMN1; SMN2 (0.47) MEN1KMT2ALMNAKDM4ECYP2D6
SCHEMBL7989677 0.83 SMN1; SMN2 (0.49) MEN1KMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL7989365 0.80 MEN1 (0.52) MEN1KMT2AKDM4ESMN1; SMN2L3MBTL1
SCHEMBL7988918 0.73 RAB9A (0.47) MEN1KMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL6707244 0.72 RAB9A (0.48) MEN1KMT2ALMNASMN1; SMN2L3MBTL1
SCHEMBL7977729 0.70 MEN1 (0.48) MEN1KMT2ALMNAKDM4EL3MBTL1
SCHEMBL13187869 0.67 NPC1 (0.48) TRPV4MEN1KMT2ALMNAKDM4E
SCHEMBL15441586 0.67 TRPV4 (1.00) TRPV4KMT2AALDH1A1MAPK1

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-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed