SCHEMBL16686267

SCHEMBL16686267

CCCCSc1cc2c(N3CCCCC3)cc(Cl)nc2s1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.34
TMEM97 Q5BJF2 2/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TMIGD3 P0DMS9 1/20 0.32
RAB9A P51151 1/20 0.32
THRB P10828 1/20 0.32
NCF1 P14598 2/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL16685978 0.82 KDM4E (0.50) HPGDKDM4ENCF1ALDH1A1LMNA
SCHEMBL16696238 0.82 HPGD (0.42) HPGDTMEM97KDM4ESMN1; SMN2TMIGD3
SCHEMBL16696227 0.73 HPGD (0.64) HPGDKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL16696186 0.70 HPGD (0.34) HPGDKDM4ESMN1; SMN2RAB9AALDH1A1
SCHEMBL16686183 0.66 L3MBTL1 (0.49) KDM4ESMN1; SMN2RAB9ANCF1ALDH1A1
SCHEMBL16685810 0.64 HPGD (0.58) HPGDKDM4EALDH1A1LMNANPSR1
SCHEMBL30968891 0.64 HPGD (0.58) HPGDKDM4EALDH1A1LMNANPSR1
SCHEMBL26666782 0.60 KMT2A (0.43) KDM4ESMN1; SMN2RAB9ATHRBLMNA
SCHEMBL5520884 0.58 NCF1 (0.43) HPGDKDM4ESMN1; SMN2NCF1ALDH1A1
SCHEMBL31045351 0.58 USP2 (0.36) HPGDKDM4ESMN1; SMN2RAB9AALDH1A1

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