SCHEMBL11797079

SCHEMBL11797079

Nc1cc(Br)cc(OC(=O)c2ccccc2)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.47
▸ MAPT P10636 6/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ SLC6A3 Q01959 1/20 0.46
▸ ESR1 P03372 2/20 0.44
▸ ESR2 Q92731 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ MEN1 O00255 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ PARP10 Q53GL7 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL10633834 0.78 KMT2A (0.59) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
SCHEMBL6170616 0.74 KMT2A (0.63) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
SCHEMBL31119217 0.74 KMT2A (0.63) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
SCHEMBL28665120 0.74 KMT2A (0.51) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
SCHEMBL10355759 0.74 ESR1 (0.57) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
SCHEMBL5058312 0.73 ESR2 (0.56) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
SCHEMBL28320252 0.72 MAPT (0.51) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
SCHEMBL8198695 0.72 KMT2A (0.56) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
SCHEMBL27639137 0.72 KMT2A (0.51) KMT2AMAPTSMN1; SMN2SLC6A3ESR1
SCHEMBL27770400 0.72 KMT2A (0.57) KMT2AMAPTSMN1; SMN2SLC6A3ESR1

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-3931303-A Process for preparing 5-halo-2,3-phenylenediamine-1-carboxylic acid GAF CORPORATION (US) 1976-01-06 — — US claimed
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