SCHEMBL6571330

SCHEMBL6571330

CC(=O)c1ccc(-c2cc(N)ccc2N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
HSD17B1 P14061 3/20 0.47
HDAC2 Q92769 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PRKCI P41743 1/20 0.42
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
PTGS1 P23219 1/20 0.40
CREBBP Q92793 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 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
Hydrochloric Acid SCHEMBL6574158 0.98 MAPT (0.47) MAPTRAB9ANPC1HSD17B1HDAC2
SCHEMBL3787112 0.89 MAPT (0.49) MAPTRAB9ANPC1HSD17B1HDAC2
SCHEMBL6011398 0.86 HSD17B1 (0.51) MAPTRAB9ANPC1HSD17B1HDAC2
SCHEMBL1708791 0.84 KMT2A (0.48) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL5687974 0.82 HSD17B1 (0.56) MAPTRAB9ANPC1HSD17B1SMN1; SMN2
SCHEMBL6572417 0.81 MAPT (0.50) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL6574523 0.81 HDAC2 (0.51) HDAC2CREBBP
Hydrochloric Acid SCHEMBL5688298 0.81 HSD17B1 (0.54) MAPTRAB9ANPC1HSD17B1SMN1; SMN2
Hydrochloric Acid SCHEMBL6574673 0.80 MAPT (0.49) MAPTRAB9ANPC1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL6574159 0.80 HDAC2 (0.50) HDAC2CREBBP

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