SCHEMBL7146938

SCHEMBL7146938

Cc1nc(S)[nH]c(=O)c1CCO

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 5/20 0.38
PKM P14618 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
XBP1 P17861 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL11625039 0.84 KDM4E (0.45) ALDH1A1MAPTKDM4ENPSR1KMT2A
SCHEMBL7147721 0.81 GAA (0.46) ALDH1A1MAPTKDM4EPKMJAK2
SCHEMBL512553 0.79 NPSR1 (0.58) ALDH1A1MAPTKDM4EPKMNPSR1
SCHEMBL12143535 0.77 L3MBTL1 (0.46) ALDH1A1MAPTKDM4ENPSR1MAPK1
SCHEMBL4742052 0.76 MAPK1 (0.47) ALDH1A1KDM4EPKMNPSR1MAPK1
SCHEMBL9382400 0.76 KMT2A (0.45) ALDH1A1MAPTKDM4EPKMJAK2
SCHEMBL5115571 0.76 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EPKMJAK2
SCHEMBL12142140 0.76 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EPKMJAK2
SCHEMBL5108684 0.76 KDM4E (0.58) ALDH1A1KDM4EPKMLMNAHTT
SCHEMBL9381697 0.76 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EPKMJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808313-B1 ANTIPSYCHOTIC 4-(1H-INDOLYL-1-YL)-1-SUBSTITUTED PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-08-13 EP disclosed
US-5919788-A PSYCHOLOGICAL DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 1999-07-06 US disclosed
EP-0808313-A1 ANTIPSYCHOTIC 4-(1H-INDOLYL-1-YL)-1-SUBSTITUTED PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1997-11-26 EP disclosed
WO-1996023784-A1 ANTIPSYCHOTIC 4-(1H-INDOLYL-1-YL)-1-SUBSTITUTED PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1996-08-08 WO disclosed
EP-0378254-B1 2-Aminopyrimidinone derivatives JANSSEN PHARMACEUTICA NV (BE) 1994-06-22 EP disclosed
EP-0378255-B1 2-Aminopyrimidinone derivatives JANSSEN PHARMACEUTICA NV (BE) 1994-04-27 EP disclosed
US-5284854-A Antiserotonin. antihistamine agents; for sleep disorders JANSSEN PHARMACEUTICA N.V. (BE) 1994-02-08 US disclosed
US-5256659-A Antiserotonine agents, antihistamines for nervous system disorders or psychological disorders JANSSEN PHARMACEUTICA N.V. (BE) 1993-10-26 US disclosed
US-5140029-A Administering for nervous system, sleep or psychotic disorders JANSSEN PHARMACEUTICA N.V. (BE) 1992-08-18 US disclosed
US-5008268-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-16 US disclosed