SCHEMBL9681603

SCHEMBL9681603

NNc1cc([N+](=O)[O-])ccc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
CYP3A4 P08684 1/20 0.63
ALOX15 P16050 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
MAPT P10636 4/20 0.58
CTSV O60911 2/20 0.54
CTSL P07711 2/20 0.54
MPO P05164 1/20 0.53
KMT2A Q03164 4/20 0.52
AKR1C3 P42330 3/20 0.50
AKR1C2 P52895 3/20 0.50
MEN1 O00255 2/20 0.50
GRIK1 P39086 1/20 0.50
GAA P10253 1/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
MYC P01106 1/20 0.48
MAX P61244 1/20 0.48
CDK2 P24941 1/20 0.47
AKR1C4 P17516 1/20 0.47

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
SCHEMBL6625749 0.88 MAPT (0.73) ALDH1A1CYP3A4ALOX15TDP1MAPT
Hydrochloric Acid SCHEMBL15054415 0.87 MAPT (0.71) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL10652234 0.85 AKR1C3 (0.63) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL3694733 0.83 MAPT (0.77) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL10542066 0.81 ALDH1A1 (0.55) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL28059510 0.81 ALDH1A1 (0.55) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL7974577 0.81 ALDH1A1 (0.55) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL5156571 0.81 SMN1; SMN2 (0.67) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL28511794 0.81 ALDH1A1 (0.55) ALDH1A1CYP3A4ALOX15TDP1MAPT
SCHEMBL6618197 0.80 KMT2A (0.60) ALDH1A1CYP3A4ALOX15TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5128455-A WATER-SOLUBLE FIBER-REACTIVE DYES, CONTAINING AN AMINO-SUBSTITUTED 5-TRIAZINE RING WITH A FIBER-REACTIVE GROUP OF THE VINYLSULFONE SERIES HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-07 US disclosed
EP-0374911-A1 Water-soluble, fibre-reactive dyes, methods for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-27 EP disclosed
US-4912244-A Vinylsulfonylalkylamino-alkylamines as intermediates for the preparation of fiber-reactive dyes CIBA-GEIGY CORPORATION (US) 1990-03-27 US disclosed
US-4782140-A Triazinyl reactive dyes containing additional fiber reactive groups bound through the sulfonylalkylaminoalkylamino bridge CIBA-GIEGY CORPORATION (US) 1988-11-01 US disclosed
EP-0144766-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1988-10-05 EP disclosed
EP-0159292-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1988-01-07 EP disclosed
EP-0159292-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-10-23 EP disclosed
EP-0144766-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-06-19 EP disclosed