SCHEMBL9634985

SCHEMBL9634985

NCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccccc1S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PKM P14618 2/20 0.40
▸ NT5E P21589 1/20 0.39
▸ CYP19A1 P11511 4/20 0.39
▸ MAPT P10636 6/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TBXA2R P21731 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ BLM P54132 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ KDM4E B2RXH2 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
SCHEMBL9635973 0.84 KMT2A (0.47) TSHRALDH1A1SMN1; SMN2PKMCYP19A1
SCHEMBL9192086 0.77 KAT2B (0.59) TSHRALDH1A1SMN1; SMN2PKMNT5E
SCHEMBL10694484 0.74 ALDH1A1 (0.44) TSHRTDP1ALDH1A1SMN1; SMN2PKM
SCHEMBL10603180 0.73 ALDH1A1 (0.58) TSHRALDH1A1SMN1; SMN2PKMCYP19A1
SCHEMBL10851653 0.73 KMT2A (0.60) TSHRTDP1ALDH1A1SMN1; SMN2PKM
SCHEMBL9878203 0.73 ALDH1A1 (0.50) TSHRTDP1ALDH1A1SMN1; SMN2PKM
SCHEMBL9878201 0.72 KAT2B (0.46) TSHRTDP1ALDH1A1SMN1; SMN2PKM
SCHEMBL11111278 0.71 ALDH1A1 (0.50) TSHRTDP1ALDH1A1SMN1; SMN2PKM
SCHEMBL10597376 0.70 KMT2A (0.45) TSHRTDP1ALDH1A1SMN1; SMN2PKM
SCHEMBL10597296 0.70 POLB (0.45) TSHRTDP1ALDH1A1SMN1; SMN2PKM

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
US-5171852-A Dye cellulose textiles bright reddish blue shades IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-15 — — US disclosed
EP-0279122-B1 REACTIVE DYES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-06-10 — — EP disclosed
EP-0279122-A2 Reactive dyes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-24 — — EP disclosed
Send feedback