SCHEMBL14081606

SCHEMBL14081606

NCc1ccc(O)c(NN)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABAT P80404 1/20 0.43
▸ ENPP2 Q13822 1/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ ADRA2A P08913 4/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ TAAR1 Q96RJ0 3/20 0.41
▸ ADRA1A P35348 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ DRD1 P21728 2/20 0.41
▸ DRD4 P21917 2/20 0.41
▸ DRD5 P21918 2/20 0.41
▸ SLC6A2 P23975 2/20 0.41
▸ DRD3 P35462 2/20 0.41
▸ RECQL P46063 2/20 0.41
▸ SLC6A3 Q01959 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TP53 P04637 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
SCHEMBL7922686 0.83 TTR (0.42) ADRA2AMAPK1TAAR1ADRA1AKDM4E
SCHEMBL14899803 0.82 ADRA2A (0.42) ABATENPP2HDAC1ADRA2AMAPK1
SCHEMBL11947298 0.82 ABAT (0.41) ABATENPP2HDAC1ADRA2AMAPK1
SCHEMBL28046511 0.75 HRH3 (0.36) ABATENPP2TAAR1MAPTGAA
SCHEMBL27717593 0.75 ALDH1A1 (0.47) TAAR1MAPTALDH1A1LOXL2
SCHEMBL110644 0.75 KDM4E (0.67) ABATADRA2AMAPK1TAAR1ADRA1A
SCHEMBL29359577 0.75 KDM4E (0.67) ABATADRA2AMAPK1TAAR1ADRA1A
SCHEMBL6012110 0.73 MAOB (0.43) MAPK1KDM4EMAPTRECQLALDH1A1
Bromide SCHEMBL20553882 0.73 KDM4E (0.64) ABATADRA2AMAPK1TAAR1ADRA1A
Hydrochloric Acid SCHEMBL30964291 0.73 KDM4E (0.68) ABATADRA2AMAPK1TAAR1ADRA1A

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
WO-2008115381-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 — — WO disclosed
Send feedback