SCHEMBL7812474

SCHEMBL7812474

CNc1ccc(N)cc1-c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
MAPT P10636 5/20 0.40
NPC1 O15118 4/20 0.40
KDM4E B2RXH2 4/20 0.40
RAB9A P51151 3/20 0.40
GAA P10253 3/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GLA P06280 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GFER P55789 1/20 0.40
ATM Q13315 1/20 0.40
TDO2 P48775 1/20 0.39
KCNH2 Q12809 1/20 0.39
HDAC1 Q13547 6/20 0.38
HDAC2 Q92769 6/20 0.38
HDAC3 O15379 5/20 0.38

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
SCHEMBL21087778 0.80 MAPT (0.42) LTA4HMAPTNPC1KDM4ERAB9A
SCHEMBL7805982 0.77 ADORA1 (0.43) LTA4HMAPTNPC1KDM4ERAB9A
SCHEMBL7809731 0.77 NCF1 (0.43) LTA4HMAPTNPC1KDM4ERAB9A
SCHEMBL8270282 0.77 LTA4H (0.56) LTA4HMAPTNPC1KDM4ERAB9A
SCHEMBL33847 0.77 KCNH2 (0.53) MAPTNPC1KDM4ERAB9AGAA
Hydrochloric Acid SCHEMBL7805948 0.76 ADORA1 (0.43) LTA4HMAPTNPC1KDM4ERAB9A
Hydrochloric Acid SCHEMBL7808497 0.76 NCF1 (0.42) LTA4HMAPTNPC1KDM4ERAB9A
Hydrochloric Acid SCHEMBL6261430 0.75 KCNH2 (0.52) MAPTNPC1KDM4ERAB9AGAA
SCHEMBL7806017 0.75 GAA (0.41) MAPTNPC1KDM4ERAB9AGAA
SCHEMBL7812171 0.75 ALDH1A1 (0.41) MAPTNPC1KDM4ERAB9AGAA

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 3 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 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