SCHEMBL6935616

SCHEMBL6935616

Cc1nn(C)c(NCCCn2ccnc2)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 1/20 0.47
SOD1 P00441 2/20 0.47
MAPK1 P28482 2/20 0.46
MAPT P10636 1/20 0.46
QPCT Q16769 6/20 0.46
ALDH1A1 P00352 3/20 0.45
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
EPHB2 P29323 1/20 0.44
RAB9A P51151 1/20 0.43
PRKCI P41743 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43

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
SCHEMBL6168164 0.79 ALDH1A1 (0.53) NMT1SOD1MAPK1MAPTQPCT
SCHEMBL6934565 0.76 KDM4E (0.35) MAPTKDM4EGAA
SCHEMBL943848 0.73 SOD1 (0.47) SOD1QPCTALDH1A1ALOX15HSD17B10
Hydrochloric Acid SCHEMBL7131965 0.73
SCHEMBL2539814 0.72 SOD1 (0.57) SOD1QPCTALOX15RAB9ACYP19A1
SCHEMBL291484 0.71 QPCT (0.54) SOD1QPCTALDH1A1ALOX15HSD17B10
SCHEMBL5033308 0.71 SOD1 (0.52) SOD1QPCTALDH1A1ALOX15HSD17B10
Hydrochloric Acid SCHEMBL5191266 0.71 SOD1 (0.56) SOD1QPCTALDH1A1ALOX15RAB9A
SCHEMBL6932521 0.70 PRKCI (0.39) QPCTALDH1A1PRKCIKDM4ECYP19A1
Hydrochloric Acid SCHEMBL19549172 0.70 QPCT (0.53) SOD1QPCTALDH1A1ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1304995-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2003-05-02 EP disclosed
WO-2002009662-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-02-07 WO disclosed