SCHEMBL6572745

SCHEMBL6572745

COc1ccc(OC)c(-c2cc(N)ccc2NCCO)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA2 P47869 2/20 0.41
GBA1 P04062 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
ADRA1A P35348 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38

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
SCHEMBL7684990 0.90 GBA1 (0.45) RAD52GBA1KMT2APOLBALDH1A1
SCHEMBL6572446 0.87 PTGER4 (0.40) GABRG2GABRB3GABRA2KMT2AHDAC4
SCHEMBL6573754 0.84 KDM4E (0.40) RAD52GBA1KMT2AALDH1A1MEN1
SCHEMBL6571744 0.84 RPS6KA2 (0.43) KMT2AALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL6574341 0.83 HDAC4 (0.38) HDAC4HDAC2HDAC8MAPT
SCHEMBL6573875 0.83 ADRA1A (0.39) GABRG2GABRB3GABRA2KMT2AHDAC4
SCHEMBL6571210 0.81 ALDH1A1 (0.45) GABRG2GABRB3GABRA2KMT2AHDAC4
SCHEMBL6572442 0.80 ABL1 (0.40) KMT2AALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL6572487 0.80 ALDH1A1 (0.44) KMT2AALDH1A1MEN1MAPT
SCHEMBL6571037 0.79 TSHR (0.40) RAD52GBA1KMT2AALDH1A1SMN1; SMN2

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