SCHEMBL6302178

SCHEMBL6302178

O=[N+]([O-])c1ccc2nc(NC(=S)Nc3ccccc3)sc2c1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.63
MAPT P10636 7/20 0.60
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
ACP1 P24666 2/20 0.59
ALDH1A1 P00352 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 3/20 0.58
CXCR2 P25025 1/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
POLB P06746 1/20 0.57
STAT1 P42224 1/20 0.57
MCL1 Q07820 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
THRB P10828 1/20 0.54

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
SCHEMBL6302125 0.93 DYRK1A (0.66) DYRK1AMAPTKMT2AMEN1ACP1
SCHEMBL6297226 0.89 KMT2A (0.61) DYRK1AMAPTKMT2AMEN1ACP1
SCHEMBL4909104 0.87 CXCR2 (0.76) DYRK1AMAPTKMT2AMEN1ACP1
SCHEMBL4908275 0.83 ALDH1A1 (0.71) DYRK1AMAPTKMT2AMEN1ACP1
SCHEMBL16732745 0.81 DYRK1A (0.78) DYRK1AMAPTKMT2AMEN1ACP1
SCHEMBL2187627 0.81 NPC1 (0.80) DYRK1AMAPTKMT2AMEN1ACP1
SCHEMBL6295875 0.80 CXCR2 (0.79) DYRK1AMAPTKMT2AMEN1ACP1
SCHEMBL5442278 0.78 NPC1 (0.68) DYRK1AMAPTKMT2AMEN1ALDH1A1
SCHEMBL31349449 0.78 KMT2A (0.68) DYRK1AMAPTKMT2AMEN1ACP1
SCHEMBL31349444 0.78 KMT2A (0.68) DYRK1AMAPTKMT2AMEN1ACP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6875764-B1 Urea and thiourea compounds useful for treatment of coccidiosis NEW PHARMA RESEARCH SWEDEN AB (SE) 2005-04-05 US disclosed