SCHEMBL22650968

SCHEMBL22650968

Clc1nc(-c2ccccc2-c2ccccc2)cc(-c2ccccc2-c2ccccc2)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.69
▸ KMT2A Q03164 5/20 0.69
▸ ALDH1A1 P00352 4/20 0.69
▸ SMN1; SMN2 Q16637 4/20 0.69
▸ L3MBTL1 Q9Y468 3/20 0.69
▸ HPGD P15428 3/20 0.69
▸ MAPT P10636 6/20 0.56
▸ KDM4E B2RXH2 4/20 0.56
▸ TDP1 Q9NUW8 3/20 0.56
▸ CYP2A6 P11509 1/20 0.46
▸ LMNA P02545 3/20 0.45
▸ GLA P06280 1/20 0.45
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ ADORA2A P29274 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ AGTR1 P30556 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40

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
SCHEMBL25068068 0.96 KMT2A (0.77) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL31643345 0.96 KMT2A (0.77) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL22084208 0.90 ALDH1A1 (0.57) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL13114113 0.85 GPR55 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL24211886 0.83 CCR1 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL24604390 0.83 GPR55 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL782567 0.82 MEN1 (1.00) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL9958251 0.81 MEN1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL22085481 0.80 ALOX5 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL30733540 0.79 MEN1 (0.60) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1

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
WO-2020226295-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2020-11-12 — — WO disclosed
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