SCHEMBL6998947

SCHEMBL6998947

Clc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)c3c2CCCC3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.54
ALDH1A1 P00352 1/20 0.43
PTGS2 P35354 2/20 0.40
HSD11B1 P28845 1/20 0.40
LMNA P02545 1/20 0.39
NR2F2 P24468 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
PTGS1 P23219 1/20 0.38

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
SCHEMBL6997777 0.78 BRD4 (0.42) BRD4ALDH1A1
SCHEMBL6989278 0.78 PTGS1 (0.52) BRD4ALDH1A1PTGS2HSD11B1LMNA
SCHEMBL6991232 0.78 BRD4 (0.57) BRD4ALDH1A1HSD11B1
SCHEMBL6993952 0.77 HSD11B1 (0.59) BRD4HSD11B1
SCHEMBL6998482 0.74 CDKN1A (0.44) BRD4PTGS2PTGS1
SCHEMBL7000563 0.74 BRD4 (0.59) BRD4ALDH1A1
SCHEMBL6992970 0.73 BRD4 (0.56) BRD4ALDH1A1HSD11B1LMNA
SCHEMBL218474 0.69 LMNA (0.44) ALDH1A1PTGS2LMNAHTTSMN1; SMN2
SCHEMBL6998227 0.69 NISCH (0.51) ALDH1A1
Hydrochloric Acid SCHEMBL8019254 0.67 NISCH (0.50) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0921119-B1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-07-02 EP disclosed
US-6114360-A Pyrrole compounds ADIR ET COMPAGNIE (FR) 2000-09-05 US disclosed
US-6111133-A Process for preparing substituted styrenes LUCENT TECHNOLOGIES INC. (US) 2000-08-29 US disclosed
US-6063804-A Pyrrole compounds ADIR ET COMPAGNIE (FR) 2000-05-16 US disclosed
EP-0921119-A1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-06-09 EP disclosed
EP-0589621-B1 Substituted styrenes AT & T CORP (US) 1998-06-03 EP disclosed
EP-0589621-A1 Substituted styrenes AT&T Corp. (US) 1994-03-30 EP disclosed