SCHEMBL7800845

SCHEMBL7800845

Cn1cccc1-c1cc(N)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.39
PCSK9 Q8NBP7 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2A13 Q16696 1/20 0.36
BRD4 O60885 1/20 0.36
EPHX2 P34913 1/20 0.35
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34

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
SCHEMBL6871689 0.85 PRKCI (0.39) PRKCIPCSK9ALDH1A1CYP2A6CYP2A13
SCHEMBL6136899 0.82 PDE10A (0.46) PRKCIPCSK9ALDH1A1CYP2A6CYP2A13
SCHEMBL14399953 0.82 DYRK3 (0.42) PCSK9ALDH1A1CDK5DYRK1ADYRK1B
SCHEMBL5705031 0.80 TSHR (0.42) PRKCIPCSK9ALDH1A1CYP2A6CYP2A13
SCHEMBL7812485 0.80 PRKCI (0.35) PRKCIPCSK9ALDH1A1CYP2A6CYP2A13
SCHEMBL7808589 0.80 HTR1A (0.35) PRKCIPCSK9ALDH1A1CYP2A6CYP2A13
SCHEMBL7805929 0.80 PCSK9 (0.33) PCSK9ALDH1A1CYP2A6CYP2A13BRD4
SCHEMBL7806005 0.80 ALDH1A1 (0.40) PCSK9ALDH1A1CYP2A6CYP2A13EPHX2
SCHEMBL6374395 0.79 ALDH1A1 (0.48) PCSK9ALDH1A1CYP2A6CYP2A13NPC1
SCHEMBL7800649 0.76 CYP3A4 (0.45) PCSK9ALDH1A1CYP2A6CYP2A13TBK1

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-0943614-B1 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives WELLA AG (DE) 2001-12-12 EP claimed
US-6042620-A FOR DYEING KERATIN FIBERS SUCH AS HAIR WELLA AG (DE) 2000-03-28 US claimed
EP-0943614-A2 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives Wella Aktiengesellschaft (DE) 1999-09-22 EP claimed
EP-0943614-B1 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives WELLA AG (DE) 2001-12-12 EP disclosed
US-6042620-A FOR DYEING KERATIN FIBERS SUCH AS HAIR WELLA AG (DE) 2000-03-28 US disclosed
EP-0943614-A2 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives Wella Aktiengesellschaft (DE) 1999-09-22 EP disclosed