SCHEMBL6574651

SCHEMBL6574651

COCCN(CCOC)c1ccc(N)c(-c2ccc(-c3cccc(C(=O)O)c3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMO O15229 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPN11 Q06124 1/20 0.42
EGFR P00533 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
MAP4K4 O95819 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
HDAC2 Q92769 1/20 0.39
DHODH Q02127 1/20 0.39

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
SCHEMBL6572946 0.94 PTPN11 (0.42) LMNAGAAF2PRSS1PRSS2
SCHEMBL6572668 0.89 RARB (0.43) F2PRSS1PRSS2PRSS3PTPN11
SCHEMBL6574647 0.88 PTGER1 (0.45) F2PRSS1PRSS2PRSS3KMO
SCHEMBL6573465 0.83 KMO (0.42) KMOPTPN11MAP4K4
SCHEMBL6570731 0.82 HDAC2 (0.38) GAAF2PRSS1PRSS2PRSS3
SCHEMBL6574642 0.80 LTB4R2 (0.43) GAAF2PRSS1PRSS2PRSS3
SCHEMBL6571056 0.79 MGAM (0.36) GAAF2PRSS1PRSS2PRSS3
SCHEMBL6571429 0.78 ALDH1A1 (0.36) F2PRSS1PRSS2PRSS3SMN1; SMN2
SCHEMBL6571441 0.78 CYP3A4 (0.38) F2PRSS1PRSS2PRSS3MAP4K4
SCHEMBL6571926 0.78 F2 (0.38) GAAF2PRSS1PRSS2PRSS3

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 1 patent. 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