SCHEMBL5035228

SCHEMBL5035228

Clc1ccc(C2=CC[N]CC2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.39
HSD11B1 P28845 2/20 0.39
HPGD P15428 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.37
RAB9A P51151 4/20 0.36
KDM4E B2RXH2 2/20 0.36
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
TP53 P04637 3/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL1363866 0.79 CYP2A6 (0.38) HSD11B1HPGDMAPTLMNARAB9A
SCHEMBL3121636 0.72 HTR2C (0.53) RAB9ATP53NPC1SMN1; SMN2TSHR
SCHEMBL3275113 0.71 AHR (0.41) AHRHSD11B1HPGDMAPTLMNA
SCHEMBL5584141 0.70 AHR (0.45) AHRHPGDMAPTLMNARAB9A
SCHEMBL464507 0.67 AHR (0.64) AHRHSD11B1MAPTRAB9AKDM4E
SCHEMBL29624840 0.67 AHR (0.64) AHRHSD11B1MAPTRAB9AKDM4E
SCHEMBL433539 0.66 AHR (0.52) AHRHSD11B1HPGDMAPTLMNA
SCHEMBL3537029 0.65 KDM4E (0.37) HPGDMAPTLMNAKDM4EALDH1A1
SCHEMBL1366838 0.64 NISCH (0.40) HPGDMAPTRAB9AKDM4EALDH1A1
SCHEMBL23484558 0.64 SIGMAR1 (0.42) AHRHSD11B1HPGDMAPTHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622569-A4 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES INCYTE CORP (US) 2008-08-27 EP disclosed
EP-1622569-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES Incyte Corporation (US) 2006-02-08 EP disclosed
WO-2004096139-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION (US) 2004-11-11 WO disclosed