SCHEMBL21085223

SCHEMBL21085223

Cc1cccc(N(c2cccc(C)c2)c2ccc(-c3ccc(N(c4cccc(C)c4)c4cccc(C)c4C)cc3C)c(C)c2)c1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
ACHE P22303 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
EGFR P00533 2/20 0.31
CSF1R P07333 2/20 0.31
SIGMAR1 Q99720 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
NSD2 O96028 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL11321702 0.88 HSD17B1 (0.36) HSD17B1HSD17B2ACHECYP1A2CYP2A6
SCHEMBL30451157 0.87 ACHE (0.42) HSD17B1HSD17B2ACHEEGFRCSF1R
SCHEMBL11331009 0.87 ACHE (0.42) HSD17B1HSD17B2ACHEEGFRCSF1R
SCHEMBL12938559 0.87 ACHE (0.42) HSD17B1HSD17B2ACHEEGFRCSF1R
SCHEMBL17539995 0.82 ALDH1A1 (0.39) HSD17B1HSD17B2ACHECYP1A2EGFR
SCHEMBL13049541 0.82 ALDH1A1 (0.39) HSD17B1HSD17B2ACHECYP1A2EGFR
SCHEMBL13049550 0.82 ALDH1A1 (0.39) HSD17B1HSD17B2ACHECYP1A2EGFR
SCHEMBL11335607 0.82 ACHE (0.38) HSD17B1HSD17B2ACHECYP1A2CYP2A6
SCHEMBL1702731 0.82 ALDH1A1 (0.39) HSD17B1HSD17B2ACHECYP1A2EGFR
SCHEMBL25700338 0.82 ACHE (0.43) HSD17B1HSD17B2ACHECYP1A2EGFR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3133661-B1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO LTD (KR) 2019-06-05 EP disclosed