SCHEMBL21765370

SCHEMBL21765370

CC1CC=Cc2oc3ccc(N)cc3c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ RAD52 P43351 1/20 0.42
▸ GFER P55789 1/20 0.41
▸ MAPK1 P28482 1/20 0.36
▸ EGFR P00533 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ GAA P10253 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
SCHEMBL21776085 0.88 KDM4E (0.42) KMT2ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL19380418 0.83 TSHR (0.36) KMT2ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL21103563 0.79 TAAR1 (0.40) KMT2ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL22084924 0.78 KMT2A (0.42) KMT2ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL24263519 0.75 NPC1 (0.40) KMT2ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL23891249 0.74 NSD2 (0.32) —
SCHEMBL19141421 0.72 KDM4E (0.41) KMT2ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL23766429 0.70 ALDH1A1 (0.31) ALDH1A1HPGDHSD17B10
SCHEMBL20999529 0.69 NPC1 (0.46) KMT2ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL20651411 0.69 NPC1 (0.40) KMT2ANPC1RAB9ASMN1; SMN2KDM4E

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-3560941-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOUND INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2021-09-08 — — EP disclosed
EP-3395823-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2020-02-26 — — EP disclosed
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