SCHEMBL23193330

SCHEMBL23193330

C/C(=C\C=C(/C)c1cc(-c2ccccc2)cc(-c2cccc(-c3ncccn3)c2)n1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 5/20 0.38
▸ KAT6A Q92794 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ CYP19A1 P11511 3/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ MAOB P27338 1/20 0.34
▸ KMO O15229 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ ESR1 P03372 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
SCHEMBL19074721 0.84 HRH3 (0.38) MCL1ADORA3ADORA2BADORA1MAOB
SCHEMBL19039888 0.75 CYP19A1 (0.50) MCL1ADORA1CYP19A1DYRK1ACLK4
SCHEMBL19075092 0.74 HTR2C (0.35) MCL1ADORA3ADORA2BADORA1KDM4E
SCHEMBL19543711 0.74 MEN1 (0.54) KAT6AADORA1CYP19A1DYRK1ACLK4
SCHEMBL25458684 0.72 MCL1 (0.38) MCL1ADORA3ADORA2BADORA1CYP19A1
SCHEMBL19009562 0.72 MEN1 (0.56) ADORA1CYP19A1DYRK1ACLK4MAOB
SCHEMBL17721038 0.71 CYP19A1 (0.49) MCL1ADORA1CYP19A1MAOBKMO
SCHEMBL20682556 0.71 KMO (0.37) MCL1ADORA3ADORA2BADORA1CYP19A1
SCHEMBL22114508 0.70 KAT6A (0.35) KAT6ACLK4KDM4EALDH1A1LMNA
SCHEMBL20669832 0.70 MEN1 (0.57) ADORA1MAOBKDM4EMEN1ALDH1A1

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-3188268-B1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO LTD (KR) 2021-04-07 — — EP disclosed
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