SCHEMBL16686183

SCHEMBL16686183

Clc1cc(N2CCCCC2)c2ccsc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTR2C P28335 1/20 0.43
NCF1 P14598 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CHKA P35790 1/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
ALDH1A3 P47895 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL16696294 0.74 L3MBTL1 (0.66) L3MBTL1HSD17B10MAPK1KDM4ESMN1; SMN2
SCHEMBL16685781 0.71 CYP2D6 (0.39) L3MBTL1HSD17B10MAPK1HTR2CKMT2A
SCHEMBL18072404 0.68 L3MBTL1 (0.66) L3MBTL1HSD17B10MAPK1KDM4ESMN1; SMN2
SCHEMBL31221719 0.68 CAMKK1 (0.38) L3MBTL1HSD17B10MAPK1HTR2CALDH1A1
SCHEMBL26489853 0.68 ATR (0.47)
SCHEMBL32686267 0.67 HTR2C (0.36) L3MBTL1HSD17B10MAPK1SMN1; SMN2HTR2C
SCHEMBL30611850 0.67 NCF1 (0.39) L3MBTL1HSD17B10KDM4ESMN1; SMN2NCF1
SCHEMBL26110488 0.67 NCF1 (0.39) L3MBTL1HSD17B10KDM4ESMN1; SMN2NCF1
SCHEMBL16686267 0.66 HPGD (0.34) KDM4ESMN1; SMN2NCF1ALDH1A1LMNA
SCHEMBL4696003 0.65 CYP2D6 (0.34) L3MBTL1HSD17B10MAPK1SMN1; SMN2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3267995-A1 INHIBITORS OF SHORT-CHAIN DEHYDROGENASE ACTIVITY FOR TREATING FIBROSIS Case Western Reserve University (US) 2018-01-17 EP disclosed
WO-2016144958-A1 INHIBITORS OF SHORT-CHAIN DEHYDROGENASE ACTIVITY FOR TREATING FIBROSIS CASE WESTERN RESERVE UNIVERSITY (US) 2016-09-15 WO disclosed
EP-3057973-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY Case Western Reserve University (US) 2016-08-24 EP disclosed
WO-2015065716-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY CASE WESTERN RESERVE UNIVERSITY (US) 2015-05-07 WO disclosed