SCHEMBL11033760

SCHEMBL11033760

NC(=Nc1ccccc1)c1ccccc1C(O)=S

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ HTR3E A5X5Y0 2/20 0.50
▸ HTR3B O95264 2/20 0.50
▸ HTR3A P46098 2/20 0.50
▸ HTR3D Q70Z44 2/20 0.50
▸ HTR3C Q8WXA8 2/20 0.50
▸ SLC22A2 O15244 2/20 0.50
▸ SLC22A1 O15245 1/20 0.50
▸ SLC22A3 O75751 1/20 0.50
▸ PLAU P00749 1/20 0.50
▸ NOS1 P29475 6/20 0.48
▸ NOS3 P29474 4/20 0.48
▸ CYP2D6 P10635 2/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ LMNA P02545 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44

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
SCHEMBL11033759 0.77 KMT2A (0.52) KMT2AMEN1HTR3EHTR3BHTR3A
SCHEMBL28296397 0.76 CYP2D6 (0.56) KMT2AMEN1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL9156571 0.76 KMT2A (0.55) KMT2AMEN1HTR3EHTR3BHTR3A
SCHEMBL1158061 0.75 ALDH1A1 (0.47) KMT2AMEN1ALOX15TDP1MAPT
Hydrochloric Acid SCHEMBL11770190 0.74 CYP2D6 (0.55) KMT2AMEN1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL11770197 0.74 CYP2D6 (0.55) KMT2AMEN1HTR3EHTR3BHTR3A
SCHEMBL28410707 0.72 KMT2A (0.55) KMT2AMEN1HTR3EHTR3BHTR3A
SCHEMBL11037099 0.72 GRIN2B (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24136574 0.72 KMT2A (1.00) KMT2AMEN1HTR3EHTR3BHTR3A
SCHEMBL24662980 0.72 KMT2A (1.00) KMT2AMEN1HTR3EHTR3BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59122458-A — — None — — JP disclosed
JP-S59122458-A BENZAMIDINE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE UBE IND LTD 1984-07-14 — — JP disclosed
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