SCHEMBL28272504

SCHEMBL28272504

C1=CC=CNC=C1.c1ccc2c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ S100A4 P26447 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ BLM P54132 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ MAOA P21397 2/20 0.38
▸ CES2 O00748 1/20 0.38
▸ APAF1 O14727 1/20 0.38
▸ TERT O14746 1/20 0.38
▸ PLIN1 O60240 1/20 0.38
▸ TDP2 O95551 1/20 0.38
▸ S1PR4 O95977 1/20 0.38
▸ PLA2G1B P04054 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
SCHEMBL28245677 0.87 MEN1 (0.57) MEN1KMT2AMAPK1SMN1; SMN2KDM4E
Anthraquinone SCHEMBL28270692 0.84 MEN1 (0.60) MEN1KMT2AMAPK1SMN1; SMN2KDM4E
SCHEMBL27832236 0.84 ALDH1A1 (0.42) MAPK1TDP1ALDH1A1HSD17B10HPGD
Anthraquinone SCHEMBL21646088 0.84 MEN1 (0.60) MEN1KMT2AMAPK1SMN1; SMN2KDM4E
Fluoranthene SCHEMBL27617378 0.83 ALDH1A1 (0.65) MEN1KMT2AMAPK1KDM4EPOLB
Naphthalene SCHEMBL8081934 0.81 CYP2A6 (0.50) MEN1KMT2APOLBMAPTTDP1
Naphthalene SCHEMBL27496066 0.81 CYP2A6 (0.50) MEN1KMT2APOLBMAPTTDP1
Triphenylene SCHEMBL27642094 0.81 ALDH1A1 (0.36) MEN1KMT2ASMN1; SMN2KDM4ELMNA
Naphthalene SCHEMBL28076935 0.79 CYP2A6 (0.47) MAPTTDP1ALDH1A1TSHRHSD17B10
Biphenyl SCHEMBL2424488 0.79 ALDH1A1 (0.53) MAPK1SMN1; SMN2KDM4ERAB9ANPC1

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
CN-109111448-A Electroluminescent organic material and device 环球展览公司 2019-01-01 — — CN claimed
CN-109111448-A Electroluminescent organic material and device 环球展览公司 2019-01-01 — — CN disclosed
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