SCHEMBL7800634

SCHEMBL7800634

CCc1coc(-c2cc(N)ccc2N(CCO)CCO)c1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
NPC1 O15118 2/20 0.32
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
ALOX15 P16050 2/20 0.32
RAB9A P51151 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL7807628 0.88
SCHEMBL7805920 0.84 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7812183 0.82 MEN1 (0.32) ALDH1A1MEN1TP53ALOX15KMT2A
SCHEMBL7805971 0.81 ALDH1A1 (0.35) ALDH1A1MEN1NPC1MAPTRAB9A
SCHEMBL7808489 0.79 ALDH3A1 (0.32) ALDH1A1
SCHEMBL7800638 0.78 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1NPC1TP53
SCHEMBL7809738 0.77 S100B (0.34) MEN1NPC1TP53MAPTRAB9A
SCHEMBL7460481 0.77 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7812197 0.76 KDM4E (0.35) ALDH1A1KDM4EMEN1NPC1TP53
SCHEMBL7808606 0.76 TAAR1 (0.40) ALDH1A1KDM4EMEN1MAPTALOX15

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