SCHEMBL6570974

SCHEMBL6570974

Nc1ccc(N)c(-c2c(NCCO)cccc2NCCO)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.41
FGB P02675 1/20 0.41
MMP14 P50281 1/20 0.41
TOP2B Q02880 1/20 0.37
FCGR3B O75015 1/20 0.36
FCGR1A P12314 1/20 0.36
FCGR2A P12318 1/20 0.36
BRD4 O60885 1/20 0.36
KDM4E B2RXH2 3/20 0.36
GLA P06280 1/20 0.36
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 3/20 0.35
RECQL P46063 3/20 0.35
MAPK1 P28482 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
EGFR P00533 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35

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
SCHEMBL6572615 0.89 NSD2 (0.42) NSD2FGBMMP14TOP2BFCGR3B
SCHEMBL6573315 0.82 KMT2A (0.37) TOP2BFCGR3BFCGR1AFCGR2AKMT2A
SCHEMBL6571976 0.81 TOP2B (0.37) NSD2FGBMMP14TOP2BFCGR3B
SCHEMBL6570745 0.81 BRD4 (0.39) NSD2FGBMMP14TOP2BFCGR3B
SCHEMBL6573224 0.78 TOP2B (0.36) NSD2FGBMMP14TOP2BFCGR3B
SCHEMBL6574155 0.78 ALDH1A1 (0.41) NSD2TOP2BFCGR3BFCGR1AFCGR2A
SCHEMBL6657713 0.78 KMT2A (0.37) FCGR3BFCGR1AFCGR2AKDM4EGLA
SCHEMBL7461263 0.77 GAA (0.32) FCGR3BFCGR1AFCGR2AKDM4EGLA
SCHEMBL6572331 0.77 RECQL (0.39) NSD2FGBMMP14TOP2BFCGR3B
SCHEMBL6574148 0.76 KDM4E (0.41) TOP2BFCGR3BFCGR1AFCGR2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP claimed
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP disclosed
EP-1051143-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed
WO-1999059527-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed