SCHEMBL21159986

SCHEMBL21159986

CC1(C)c2cc(-c3ccc(-c4ccc5ccc(-c6ccc(C7N=C(c8ccccc8)N=C(c8ccccc8)N7)cc6)cc5c4)cc3)ccc2-c2c(C#N)cccc21

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ ABL1 P00519 1/20 0.30
▸ PDK2 Q15119 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
SCHEMBL21159712 0.98 ABL1 (0.30) ABL1PDK2
SCHEMBL21160003 0.92 PDK2 (0.30) PDK2
SCHEMBL21160287 0.90 — —
SCHEMBL22057038 0.90 SSTR2 (0.32) NPC1RAB9APDK2
SCHEMBL21159688 0.89 — —
SCHEMBL21160120 0.89 — —
SCHEMBL21159940 0.87 — —
SCHEMBL20407160 0.87 — —
SCHEMBL22057054 0.84 NPC1 (0.37) NPC1RAB9AABL1PDK2
SCHEMBL21160331 0.84 TRPA1 (0.41) NPC1RAB9AABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3498804-B1 ORGANIC LIGHT EMITTING DEVICE LG CHEMICAL LTD (KR) 2020-06-03 — — EP disclosed
EP-3498804-A1 ORGANIC LIGHT EMITTING DEVICE LG Chem, Ltd. (KR) 2019-06-19 — — EP disclosed
Send feedback