SCHEMBL7089309

SCHEMBL7089309

Nc1ccnc(-c2cc(N)ccc2N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 3/20 0.52
KDM4C Q9H3R0 2/20 0.46
KDM1A O60341 3/20 0.37
SMN1; SMN2 Q16637 5/20 0.34
TP53 P04637 4/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.34
TSHR P16473 3/20 0.34
KDM4E B2RXH2 2/20 0.34
CASP1 P29466 2/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
PKM P14618 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 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
SCHEMBL7088671 0.85 KDM4C (0.49) ASIC3KDM4CKDM1ASMN1; SMN2MAPT
SCHEMBL7085687 0.85 CCR1 (0.55) ASIC3KDM4CKDM1ASMN1; SMN2TP53
SCHEMBL7089081 0.85 IDO1 (0.42) ASIC3KDM4CKDM1ASMN1; SMN2ALDH1A1
SCHEMBL7088953 0.85 KDM1A (0.43) ASIC3KDM4CKDM1ASMN1; SMN2TP53
Hydrochloric Acid SCHEMBL7088665 0.83 CCR1 (0.53) ASIC3KDM4CKDM1ASMN1; SMN2TP53
Hydrochloric Acid SCHEMBL7089569 0.83 CCR1 (0.53) ASIC3KDM4CKDM1ASMN1; SMN2TP53
SCHEMBL7085463 0.81 KDM4C (0.40) ASIC3KDM4CKDM1A
SCHEMBL7089225 0.81 NOS3 (0.51) ASIC3KDM4CKDM1ATSHRGAA
SCHEMBL462513 0.80 KDM1A (0.49) ASIC3KDM1ASMN1; SMN2TP53MAPT
SCHEMBL7086073 0.79 ALDH1A1 (0.46) KDM4CMAPTALDH1A1TSHRHTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1052252-B1 Diaminobenzene derivatives and dyeing preparations containing them WELLA AG (DE) 2003-08-06 EP claimed
US-6461388-B1 Diaminobenzene derivative compounds and dye compositions containing same WELLA AKTIENGESELLSCHAFT (DE) 2002-10-08 US claimed
EP-1052252-A1 Diaminobenzene derivatives and dyeing preparations containing them Wella Aktiengesellschaft (DE) 2000-11-15 EP claimed
EP-1052252-B1 Diaminobenzene derivatives and dyeing preparations containing them WELLA AG (DE) 2003-08-06 EP disclosed
US-6461388-B1 Diaminobenzene derivative compounds and dye compositions containing same WELLA AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed
EP-1052252-A1 Diaminobenzene derivatives and dyeing preparations containing them Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed