SCHEMBL6571430

SCHEMBL6571430

Nc1cc(N)cc(-c2cc(N)ccc2NCCO)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.37
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KMT2A Q03164 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
KDR P35968 1/20 0.34
JAK3 P52333 1/20 0.34
AURKB Q96GD4 1/20 0.34
FCGR3B O75015 1/20 0.33
FCGR1A P12314 1/20 0.33
FCGR2A P12318 1/20 0.33
TOP2B Q02880 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
RECQL P46063 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 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
SCHEMBL6571957 0.91 PRSS1 (0.38) PRSS1TSHRTDP1KMT2AFCGR3B
SCHEMBL6572152 0.91 JAK2 (0.34) PRSS1TSHRTDP1KMT2AJAK2
SCHEMBL6573241 0.89 ABCB1 (0.36) PRSS1TSHRTDP1KMT2AJAK2
SCHEMBL6572059 0.89 PRSS1 (0.34) PRSS1TSHRTDP1KMT2AJAK2
SCHEMBL6570922 0.88 PTGDR2 (0.44) TDP1TYK2TOP2BALDH1A1PTGDR2
SCHEMBL6574148 0.87 KDM4E (0.41) PRSS1FCGR3BFCGR1AFCGR2ATOP2B
SCHEMBL6571342 0.87 USP7 (0.40) PRSS1TSHRTDP1ALDH1A1
Hydrochloric Acid SCHEMBL6573152 0.87 PTGDR2 (0.43) PRSS1TDP1TYK2TOP2BALDH1A1
SCHEMBL6573032 0.85 ALDH1A1 (0.38) PRSS1TSHRTDP1KMT2AALDH1A1
SCHEMBL7085071 0.85 PRKCD (0.42) JAK2TYK2

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 5 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
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US 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