SCHEMBL24896043

SCHEMBL24896043

COC(=O)c1ccccc1-c1ccc(Br)c2c3c(oc12)CCC=C3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SLC6A3 Q01959 5/20 0.39
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ SLC6A4 P31645 3/20 0.35
▸ TOP2A P11388 2/20 0.35
▸ ATM Q13315 2/20 0.34
▸ PTPRC P08575 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ BRAF P15056 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ HSD17B3 P37058 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ CSF1R P07333 1/20 0.32
▸ KDR P35968 1/20 0.32

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
SCHEMBL22005386 0.83 ALDH1A1 (0.39) HTTKMT2ASLC6A3KDM4EALDH1A1
SCHEMBL24862845 0.80 HTT (0.40) HTTKMT2ASLC6A3KDM4EALDH1A1
SCHEMBL24936932 0.80 MAOA (0.34) —
SCHEMBL24936797 0.78 HTR6 (0.30) —
SCHEMBL18926922 0.77 SLC6A3 (0.45) HTTKMT2ASLC6A3KDM4EALDH1A1
SCHEMBL19774227 0.75 KMT2A (0.35) HTTKMT2ASLC6A3KDM4EALDH1A1
SCHEMBL17227136 0.70 KDM4E (0.39) HTTKMT2ASLC6A3KDM4EALDH1A1
SCHEMBL18302011 0.67 SLC6A3 (0.56) HTTKMT2ASLC6A3KDM4EALDH1A1
SCHEMBL23974745 0.67 SLC6A3 (0.38) HTTKMT2ASLC6A3KDM4EALDH1A1
SCHEMBL15525214 0.67 SLC6A3 (0.63) HTTKMT2ASLC6A3KDM4EALDH1A1

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-4123737-A1 ORGANOELECTROLUMINESCENT DEVICE USING POLYCYCLIC AROMATIC COMPOUNDS SFC Co., Ltd. (KR) 2023-01-25 — — EP disclosed
EP-4119554-A1 AMINE COMPOUND HAVING FUSED RING, AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME SFC Co., Ltd. (KR) 2023-01-18 — — EP disclosed
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