SCHEMBL6573438

SCHEMBL6573438

Nc1ccc(N(CCO)CCO)cc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
MAP4K4 O95819 6/20 0.40
BCL2L1 Q07817 1/20 0.38
BAD Q92934 1/20 0.38
FOLH1 Q04609 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CDC25B P30305 1/20 0.36
ALOX5 P09917 1/20 0.36
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SRD5A2 P31213 1/20 0.35
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 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
SCHEMBL6572986 0.87 HSD17B1 (0.39) RARBRARGKDM4EKMT2A
SCHEMBL6573465 0.87 KMO (0.42) MAP4K4FOLH1RXRARXRB
SCHEMBL6572668 0.85 RARB (0.43) RARBRARGMAP4K4RXRASRD5A2
SCHEMBL6571445 0.83 KMT2A (0.43) KDM4EKMT2ALMNAHSD17B10F2
SCHEMBL6571892 0.83 MAPT (0.37) KDM4EGFERKMT2ALMNAHSD17B10
SCHEMBL6572200 0.82 USP7 (0.40) KMT2ALMNAHSD17B10
SCHEMBL6574636 0.82 KMT2A (0.42) MAP4K4KMT2ALMNA
SCHEMBL6572518 0.81 MAPT (0.38) KMT2ALMNAHSD17B10
SCHEMBL6571049 0.81 KMT2A (0.35) KMT2ALMNA
SCHEMBL6571525 0.81 KMT2A (0.50) MAP4K4KDM4EGFERKMT2ALMNA

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 2 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
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