SCHEMBL7809731

SCHEMBL7809731

COCCNc1ccc(N)cc1-c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.43
LMNA P02545 4/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
PTGER4 P35408 2/20 0.41
MAPT P10636 4/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC3 O15379 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.36
FGFR4 P22455 1/20 0.36
THRB P10828 1/20 0.35
LTA4H P09960 1/20 0.35

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 SCHEMBL7808497 0.99 NCF1 (0.42) NCF1LMNAHPGDRAB9APTGER4
SCHEMBL7806017 0.92 GAA (0.41) NCF1LMNAHPGDRAB9APTGER4
SCHEMBL7805982 0.82 ADORA1 (0.43) HPGDRAB9AMAPTGAASMN1; SMN2
Hydrochloric Acid SCHEMBL7805948 0.81 ADORA1 (0.43) HPGDRAB9AMAPTGAASMN1; SMN2
SCHEMBL7812171 0.80 ALDH1A1 (0.41) HPGDRAB9AMAPTGAASMN1; SMN2
SCHEMBL6570689 0.78 PTGER4 (0.48) NCF1LMNAPTGER4MAPTSMN1; SMN2
SCHEMBL6572960 0.78 PTGER4 (0.51) NCF1PTGER4MAPTALDH1A1KDM4E
SCHEMBL6572005 0.77 PTGER4 (0.50) NCF1LMNAHPGDRAB9APTGER4
SCHEMBL6572456 0.77 PTGER4 (0.50) NCF1LMNARAB9APTGER4MAPT
SCHEMBL6574666 0.77 PTGER4 (0.50) NCF1LMNARAB9APTGER4MAPT

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