SCHEMBL8434723

SCHEMBL8434723

N#Cc1cc([N+](=O)[O-])ccc1NCCO

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.70
ALDH1A1 P00352 9/20 0.61
KMT2A Q03164 5/20 0.60
TDP1 Q9NUW8 3/20 0.58
TSHR P16473 2/20 0.58
RAB9A P51151 1/20 0.54
LMNA P02545 3/20 0.53
VCAM1 P19320 1/20 0.51
PKM P14618 1/20 0.49
BCL6 P41182 1/20 0.48
BCOR Q6W2J9 1/20 0.48
MEN1 O00255 4/20 0.47
THRB P10828 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 4/20 0.47
GLA P06280 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL8446303 0.86 RECQL (0.67) RECQLALDH1A1KMT2ATDP1TSHR
SCHEMBL9373869 0.82 RECQL (0.66) RECQLALDH1A1LMNAVCAM1PKM
SCHEMBL9575517 0.82 RECQL (0.65) RECQLALDH1A1KMT2ATDP1LMNA
SCHEMBL29390514 0.82 KMT2A (0.70) RECQLALDH1A1KMT2ATDP1TSHR
SCHEMBL126989 0.82 KMT2A (0.70) RECQLALDH1A1KMT2ATDP1TSHR
SCHEMBL8930628 0.81 GLA (0.67) RECQLALDH1A1KMT2ATDP1TSHR
SCHEMBL10617330 0.80 BCL6 (0.63) RECQLALDH1A1KMT2ATDP1TSHR
SCHEMBL109470 0.79 KMT2A (0.67) ALDH1A1KMT2ATDP1TSHRLMNA
SCHEMBL563763 0.79 PKM (0.67) ALDH1A1KMT2ATDP1TSHRRAB9A
SCHEMBL8521877 0.79 RECQL (0.58) RECQLALDH1A1KMT2ATDP1RAB9A

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
WO-2012136305-A1 PROCESS FOR IMPROVING THE ELECTRICAL PARAMETERS IN CAPACITORS COMPRISING PEDOT/PSS AS SOLID ELECTROLYTE, BY MEANS OF ADDITIVES HERAEUS PRECIOUS METALS GMBH & CO. KG (DE) 2012-10-11 WO disclosed
US-5865856-A MIXTURE CONTAINING COUPLER AND DEVELOPER WELLA AKTIENGESELLSCHAFT (DE) 1999-02-02 US disclosed
EP-0797980-A1 Oxidation hair dye composition comprising a 2,5-diaminobenzonitrile as well as 2,5-diaminobenzonitrile compounds Wella Aktiengesellschaft (DE) 1997-10-01 EP disclosed