SCHEMBL9036736

SCHEMBL9036736

O=C(CN1CCSC1)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
TSHR P16473 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HTR2A P28223 10/20 0.47
HTR2C P28335 6/20 0.47
KCNH2 Q12809 2/20 0.47
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
DPP4 P27487 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
DRD2 P14416 1/20 0.43
HTR2B P41595 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL9035205 0.85 SIGMAR1 (0.54) TSHRKDM4EHTTSMN1; SMN2KCNH2
SCHEMBL9036691 0.84 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HTR2AHTR2CKCNH2
SCHEMBL9871356 0.78 ALDH1A1 (0.61) ALDH1A1TSHRKDM4EHTTSMN1; SMN2
SCHEMBL28197149 0.77 ALDH1A1 (0.62) ALDH1A1TSHRKDM4EHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL10369554 0.77 ALDH1A1 (0.60) ALDH1A1TSHRKDM4EHTTSMN1; SMN2
SCHEMBL9036253 0.77 SIGMAR1 (0.52) ALDH1A1TSHRHTTSMN1; SMN2KCNH2
SCHEMBL28197772 0.76 ALDH1A1 (0.58) ALDH1A1TSHRKDM4EHTTSMN1; SMN2
SCHEMBL2548153 0.74 ALDH1A1 (0.57) ALDH1A1TSHRKDM4EHTTSMN1; SMN2
SCHEMBL10368830 0.74 ATM (0.61) ALDH1A1TSHRKDM4EHTTSMN1; SMN2
SCHEMBL9660142 0.74 TSHR (0.68) ALDH1A1TSHRKDM4EHTTSMN1; SMN2

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-0411775-B1 Heterocyclic compounds containing nitrogen and sulfur, processes for their preparation and pharmaceutical compositions thereof RICHTER GEDEON VEGYESZET (HU) 1996-03-13 EP disclosed
US-5096902-A Cerebral antihypoxic action, senile dememtia, Alzheimer's, cognitive functions RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1992-03-17 US disclosed
EP-0411775-A1 Heterocyclic compounds containing nitrogen and sulfur, processes for their preparation and pharmaceutical compositions thereof RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1991-02-06 EP disclosed