SCHEMBL6572958

SCHEMBL6572958

Nc1cc(N)c(CCO)c(-c2ccccc2Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.45
DPP4 P27487 2/20 0.39
MAOB P27338 2/20 0.38
CYP2A6 P11509 1/20 0.36
DPP8 Q6V1X1 1/20 0.35
MAPK14 Q16539 1/20 0.35
USP7 Q93009 2/20 0.35
TSHR P16473 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
RECQL P46063 1/20 0.33
NPC1 O15118 3/20 0.33
MAPT P10636 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 2/20 0.33

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
SCHEMBL6574499 0.78 ALDH1A1 (0.39) MAOBUSP7TSHRMAPTRAB9A
SCHEMBL18421930 0.73 KDM4E (0.31) MAPTMEN1GAAKMT2ATDP1
SCHEMBL6572205 0.73
SCHEMBL7808596 0.71 KCNH2 (0.42) DPP4TSHRNPC1MAPTRAB9A
SCHEMBL8090563 0.69 ALOX15 (0.31)
SCHEMBL452550 0.69 PLA2G7 (0.67) PLA2G7DPP4CYP2A6TSHRHSP90AA1
SCHEMBL6011528 0.69 PLA2G7 (0.61) PLA2G7DPP4MAOBCYP2A6TSHR
SCHEMBL4640020 0.69 TAAR1 (0.48) DPP4TSHRTAAR1MAPTSMN1; SMN2
SCHEMBL30060011 0.68 CYP2A6 (0.57) PLA2G7DPP4MAOBCYP2A6MAPK14
SCHEMBL5184993 0.68 ALDH1A1 (0.34) PLA2G7MAOBTSHRRECQLNPC1

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
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