SCHEMBL10645477

SCHEMBL10645477

CSc1nc(N2CCSCC2)c(-c2ccccc2)c2nnc(C)n12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
AR P10275 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 5/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 2/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL10646209 0.86 L3MBTL1 (0.39) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL10646149 0.70 KDM4E (0.45) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL10645428 0.68 KDM4E (0.41) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5526686 0.57 NPSR1 (0.46) ALDH1A1NPSR1SMN1; SMN2KMT2AMEN1
SCHEMBL12138081 0.56 CYP3A4 (0.43) L3MBTL1ALDH1A1CYP1A2CYP2C19NPSR1
SCHEMBL5793157 0.54 POLB (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19POLB
SCHEMBL17014725 0.54 RAB9A (1.00) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2167113 0.54 LMNA (0.54) L3MBTL1ALDH1A1POLBSMN1; SMN2AR
SCHEMBL7324699 0.53 ABCB1 (0.49) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL974759 0.53 ALDH1A1 (0.69) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0121341-B1 TRIAZOLO(4,3-C)PYRIMIDINES AND TRIAZOLO(1,5-C)PYRIMIDINES SUBSTITUTED BY NITROGEN-CONTAINING HETEROCYCLIC RINGS RIKER LABORATORIES, INCORPORATED (US) 1988-11-17 EP claimed
US-4477450-A BRONCHODILATORS RIKER LABORATORIES, INC. (US) 1984-10-16 US claimed
EP-0121341-A1 Triazolo(4,3-c)pyrimidines and triazolo(1,5-c)pyrimidines substituted by nitrogen-containing heterocyclic rings RIKER LABORATORIES, INCORPORATED (US) 1984-10-10 EP claimed
EP-0121341-B1 TRIAZOLO(4,3-C)PYRIMIDINES AND TRIAZOLO(1,5-C)PYRIMIDINES SUBSTITUTED BY NITROGEN-CONTAINING HETEROCYCLIC RINGS RIKER LABORATORIES, INCORPORATED (US) 1988-11-17 EP disclosed
US-4536579-A BRONCHODILATING AGENTS RIKER LABORATORIES, INC. (US) 1985-08-20 US disclosed
US-4477450-A BRONCHODILATORS RIKER LABORATORIES, INC. (US) 1984-10-16 US disclosed
EP-0121341-A1 Triazolo(4,3-c)pyrimidines and triazolo(1,5-c)pyrimidines substituted by nitrogen-containing heterocyclic rings RIKER LABORATORIES, INCORPORATED (US) 1984-10-10 EP disclosed