SCHEMBL9149934

SCHEMBL9149934

c1ccc(CCCc2ccc(CCCCCN3CCOCC3)s2)cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.70
POLB P06746 1/20 0.70
CCR3 P51677 2/20 0.54
KMT2A Q03164 2/20 0.53
HTT P42858 1/20 0.53
KDM1A O60341 1/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL4425957 0.88 SIGMAR1 (0.90) SIGMAR1POLBCCR3KMT2AHTT
SCHEMBL1711070 0.83 SIGMAR1 (1.00) SIGMAR1POLBCCR3KMT2AHTT
SCHEMBL9154819 0.82 SIGMAR1 (0.57) SIGMAR1POLBKMT2AHTTMEN1
SCHEMBL9154279 0.82 SIGMAR1 (0.57) SIGMAR1POLBKMT2AHTTMEN1
SCHEMBL9249340 0.80 POLB (0.47) SIGMAR1POLBKMT2AKDM1AMEN1
SCHEMBL8092982 0.78 SIGMAR1 (0.85) SIGMAR1CCR3KMT2AMEN1TP53
Hydrochloric Acid SCHEMBL9716493 0.78 SIGMAR1 (0.42) SIGMAR1POLBCCR3
SCHEMBL7394691 0.77 SIGMAR1 (0.68) SIGMAR1POLBCCR3KMT2AMEN1
SCHEMBL7397638 0.77 SIGMAR1 (0.68) SIGMAR1POLBCCR3KMT2AMEN1
SCHEMBL78043 0.77 SIGMAR1 (0.79) SIGMAR1POLBCCR3KMT2AHTT

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
EP-0429370-B1 Thiophene derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1995-01-04 EP claimed