SCHEMBL6572117

SCHEMBL6572117

Nc1ccc(NCCO)c(-c2ccc(CO)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FCGR3B O75015 1/20 0.36
FCGR1A P12314 1/20 0.36
FCGR2A P12318 1/20 0.36
PRSS1 P07477 8/20 0.34
FYN P06241 2/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACVRL1 P37023 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
AKT1 P31749 1/20 0.31

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 0.90 PRSS1 (0.38) FCGR3BFCGR1AFCGR2APRSS1TSHR
SCHEMBL6571342 0.86 USP7 (0.40) PRSS1TSHRTDP1KDM4EGLA
SCHEMBL6571430 0.85 PRSS1 (0.37) FCGR3BFCGR1AFCGR2APRSS1TSHR
SCHEMBL6573032 0.84 ALDH1A1 (0.38) PRSS1FYNTSHRTDP1KDM4E
SCHEMBL6571420 0.84 MKNK1 (0.37) PRSS1TSHRTDP1KDM4EKMT2A
SCHEMBL6570671 0.84 CYP1A2 (0.43) PRSS1TSHRTDP1KDM4EKMT2A
SCHEMBL6571157 0.84 TDO2 (0.38) PRSS1TSHRTDP1AKT1
SCHEMBL6570922 0.84 PTGDR2 (0.44) TDP1KDM4EGLA
Hydrochloric Acid SCHEMBL6573152 0.83 PTGDR2 (0.43) PRSS1TDP1KDM4EGLA
SCHEMBL6574148 0.83 KDM4E (0.41) FCGR3BFCGR1AFCGR2APRSS1FYN

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