SCHEMBL6572152

SCHEMBL6572152

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
PRSS1 P07477 10/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 3/20 0.33
TSHR P16473 1/20 0.33
ABCB1 P08183 2/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL6573241 0.95 ABCB1 (0.36) JAK2JAK1TYK2KDRJAK3
SCHEMBL6571430 0.91 PRSS1 (0.37) JAK2JAK1TYK2KDRJAK3
SCHEMBL6571342 0.88 USP7 (0.40) PRSS1ALDH1A1KDM4EGLAGAA
SCHEMBL6571957 0.85 PRSS1 (0.38) PRSS1ALDH1A1KDM4ETDP1TSHR
SCHEMBL6570749 0.85 PIK3CG (0.41) KDRAURKBALDH1A1KDM4EGLA
SCHEMBL6572059 0.83 PRSS1 (0.34) JAK2JAK1TYK2KDRJAK3
SCHEMBL6572304 0.83 PTGER4 (0.48) ALDH1A1KDM4EGAALMNAALOX15
SCHEMBL6570922 0.83 PTGDR2 (0.44) TYK2ALDH1A1KDM4EGLAGAA
SCHEMBL6574148 0.81 KDM4E (0.41) PRSS1ALDH1A1KDM4EFCGR3BFCGR1A
Hydrochloric Acid SCHEMBL6573152 0.81 PTGDR2 (0.43) TYK2PRSS1ALDH1A1KDM4EGLA

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