SCHEMBL7086514

SCHEMBL7086514

Nc1ccc(N)c(-c2ccc(Cl)cn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.46
CYP3A4 P08684 4/20 0.38
TSHR P16473 4/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM1A O60341 4/20 0.37
MAOB P27338 3/20 0.37
DYRK3 O43781 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK5 Q00535 1/20 0.37
DYRK1A Q13627 1/20 0.37
CDK5R1 Q15078 1/20 0.37
DYRK2 Q92630 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
BACE1 P56817 2/20 0.36
TGFBR1 P36897 1/20 0.36
ITGB2 P05107 1/20 0.36

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
SCHEMBL7088925 0.85 HIF1A (0.36) IDO1CYP3A4TSHRALDH1A1ALOX15
Ammonia Solution, Strong SCHEMBL5852352 0.81 NPC1 (0.44) IDO1CYP3A4TSHRALDH1A1ALOX15
SCHEMBL5684878 0.81 CA1 (0.41) IDO1TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL2941856 0.79 CCR1 (0.52) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL7085720 0.79 KDM1A (0.41) IDO1CYP3A4TSHRALDH1A1ALOX15
SCHEMBL7086289 0.79 ALDH1A1 (0.36) IDO1ALDH1A1KDM1ATGFBR1SMO
SCHEMBL31114208 0.78 CYP11B1 (0.47) IDO1TSHRALDH1A1SMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL7086070 0.77 CCR1 (0.50) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
Hydrochloric Acid SCHEMBL7086437 0.77 CCR1 (0.50) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL7089081 0.75 IDO1 (0.42) IDO1CYP3A4TSHRALDH1A1ALOX15

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