SCHEMBL24218186

SCHEMBL24218186

C=CC(=C)N(C)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPT P10636 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ PDE5A O76074 2/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL18913688 0.89 MEN1 (0.39) L3MBTL1KDM4ELMNAALDH1A1MEN1
SCHEMBL24303923 0.82 KMT2A (0.38) L3MBTL1MAPTHPGDCYP1A2KDM4E
SCHEMBL24304111 0.82 L3MBTL1 (0.46) L3MBTL1MAPTHPGDCYP1A2KDM4E
SCHEMBL25630960 0.81 FAAH (0.45) L3MBTL1KDM4ELMNASMN1; SMN2MEN1
SCHEMBL24303799 0.79 JAK3 (0.36) L3MBTL1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL24303599 0.76 L3MBTL1 (0.41) L3MBTL1MAPTHPGDKDM4ELMNA
SCHEMBL23570956 0.74 HSD17B2 (0.40) —
SCHEMBL17072920 0.74 L3MBTL1 (0.37) L3MBTL1MAPTHPGDCYP1A2KDM4E
SCHEMBL29304969 0.72 MEN1 (0.37) L3MBTL1KDM4ELMNAALDH1A1MEN1
SCHEMBL19268848 0.69 L3MBTL1 (0.54) L3MBTL1MAPTHPGDCYP1A2KDM4E

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
US-20220029108-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2022-01-27 — — US disclosed
Send feedback