SCHEMBL9825697

SCHEMBL9825697

O=C1CSCN1C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
ACHE P22303 2/20 0.39
BCHE P06276 1/20 0.39

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
SCHEMBL9826183 0.83 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTRAB9AHPGD
SCHEMBL9825223 0.83 HPGD (0.50) ALDH1A1KMT2ACYP1A2MAPTNPC1
SCHEMBL9825330 0.79 KMT2A (0.58) ALDH1A1KMT2ACYP1A2MAPTCYP2C19
SCHEMBL9826226 0.79 MEN1 (0.49) KMT2AHPGDMEN1GSK3BSIGMAR1
SCHEMBL8417169 0.75 ALDH1A1 (0.54) ALDH1A1KMT2ACYP1A2MAPTCYP2C19
SCHEMBL27909744 0.72 KMT2A (0.44) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL7338840 0.72 ALDH1A1 (0.61) ALDH1A1KMT2ACYP1A2MAPTCYP2C19
SCHEMBL30063016 0.71 ALDH1A1 (0.55) ALDH1A1KMT2ACYP1A2MAPTCYP2C19
SCHEMBL1002469 0.69 CYP1A2 (0.64) ALDH1A1KMT2ACYP1A2MAPTCYP2C19
SCHEMBL6960124 0.68 SMN1; SMN2 (0.63) ALDH1A1KMT2ACYP1A2MAPTCYP2C19

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-0203743-B1 OXOTHIAZOLIDINE COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 EP disclosed
US-4764514-A COGNITIONACTIVATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-08-16 US disclosed
EP-0203743-A1 Oxothiazolidine compound FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-12-03 EP disclosed