SCHEMBL9534071

SCHEMBL9534071

Clc1ccc2oc(SCCBr)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 3/20 0.62
TP53 P04637 1/20 0.58
KMT2A Q03164 4/20 0.51
MAPT P10636 3/20 0.51
MAPK1 P28482 2/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MEN1 O00255 2/20 0.51
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
NPC1 O15118 1/20 0.50
STAT1 P42224 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 3/20 0.49
CYP1A2 P05177 2/20 0.49
THRB P10828 1/20 0.49
ALOX15 P16050 1/20 0.49
ALDH1A1 P00352 2/20 0.48

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
SCHEMBL9389895 0.85 TMEM97 (0.62) TMEM97TP53KMT2AMAPTMAPK1
SCHEMBL29475972 0.79 MAPT (0.70) TMEM97TP53KMT2AMAPTMAPK1
SCHEMBL28874479 0.79 MAPT (0.70) TMEM97TP53KMT2AMAPTMAPK1
SCHEMBL17153804 0.79 MAPT (0.59) TMEM97TP53KMT2AMAPTMAPK1
SCHEMBL9183583 0.78 TMEM97 (0.55) TMEM97TP53KMT2AMAPTMAPK1
SCHEMBL9531515 0.78 DDAH1 (0.71) TP53KMT2AMAPTMAPK1HPGD
SCHEMBL11001351 0.77 KMT2A (0.65) TMEM97TP53KMT2AMAPTMAPK1
SCHEMBL4699848 0.76 MAPT (0.56) TMEM97TP53KMT2AMAPTMAPK1
SCHEMBL9536038 0.73 KDM4E (0.51) TP53KMT2AMAPTMAPK1HPGD
SCHEMBL10866800 0.72 KDM4E (0.54) TMEM97TP53KMT2AMAPTMAPK1

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-0335586-B1 PIPERIDINE & PIPERAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME UBE INDUSTRIES, LTD. (JP) 1993-06-02 EP disclosed
US-4929618-A ANTIALLERGENS, ANTIHISTAMINES UBE INDUSTRIES, LTD. (JP) 1990-05-29 US disclosed
EP-0335586-A1 Piperidine & piperazine derivatives, process for preparing the same and pharmaceutical compositions containing the same UBE INDUSTRIES, LTD. (JP) 1989-10-04 EP disclosed