SCHEMBL4616296

SCHEMBL4616296

Cn1c(=NN)n(C)c2cc(Br)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.38
IDO1 P14902 1/20 0.36
ALDH1A1 P00352 6/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
USP2 O75604 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ATM Q13315 1/20 0.35
TP53 P04637 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 4/20 0.33

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
SCHEMBL30336283 0.82 HTR7 (0.39) MCL1IDO1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4613974 0.77 PSMB8 (0.40) ALDH1A1MAPTMEN1KMT2ACA12
SCHEMBL5284940 0.75 MCL1 (0.37) MCL1IDO1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4616230 0.74 GPR3 (0.44) ALDH1A1MAPTSMN1; SMN2KMT2ANPC1
SCHEMBL4616573 0.74
SCHEMBL4614466 0.74 CA2 (0.46) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL29209075 0.74 CXCR3 (0.46) MCL1IDO1ALDH1A1MAPTSMN1; SMN2
SCHEMBL474471 0.74 MEN1 (0.55) MCL1IDO1ALDH1A1MAPTSMN1; SMN2
SCHEMBL29209042 0.74 THRB (0.47) MCL1IDO1ALDH1A1MAPTMEN1
Hydrochloric Acid SCHEMBL11514668 0.73 GPR3 (0.42) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601335-B1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AG (DE) 2008-03-19 EP claimed
EP-1601335-A1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES Wella Aktiengesellschaft (DE) 2005-12-07 EP claimed
WO-2004078152-A1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 WO claimed
EP-1601335-B1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AG (DE) 2008-03-19 EP disclosed
EP-1699427-B1 AGENT AND METHOD FOR OXIDATIVELY DYING KERATIN FIBERS WELLA AG (DE) 2008-02-27 EP disclosed
EP-1699426-A1 AGENT AND METHOD FOR OXIDATIVELY DYEING KERATIN FIBERS Wella Aktiengesellschaft (DE) 2006-09-13 EP disclosed
EP-1601335-A1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES Wella Aktiengesellschaft (DE) 2005-12-07 EP disclosed
WO-2005060927-A1 AGENT AND METHOD FOR OXIDATIVELY DYEING KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2005-07-07 WO disclosed
WO-2004078152-A1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 WO disclosed