SCHEMBL21765402

SCHEMBL21765402

C=C/C=C\c1c(C)oc2c(N)cccc12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.33
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PIK3CA P42336 1/20 0.31
NR4A2 P43354 1/20 0.31
TTR P02766 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
SCHEMBL22432380 0.84 MCL1 (0.38) ALDH1A1
SCHEMBL23938618 0.82 CYP3A4 (0.35) ELANECYP3A4TSHRALDH1A1HPGD
SCHEMBL10068830 0.81 LOXL2 (0.33)
SCHEMBL21765369 0.78 ELANE (0.33) ELANECYP3A4TSHRALDH1A1HPGD
SCHEMBL19204522 0.78 PIK3CD (0.37) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL23652448 0.74 PRKDC (0.40) CYP3A4TSHRALDH1A1HSD17B10PIK3CA
SCHEMBL18830876 0.73 KDM4E (0.43) CYP3A4ALDH1A1HPGDHSD17B10
SCHEMBL25561779 0.73 AHR (0.42) ALDH1A1TDP1NR4A2TTR
SCHEMBL13947724 0.73 CD44 (0.43) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL6590934 0.72 CYP3A4 (0.46) ELANECYP3A4TSHRALDH1A1HPGD

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-4027400-A1 ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2022-07-13 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