SCHEMBL21282036

SCHEMBL21282036

Clc1nc(-c2cccc(-c3ccccc3)c2)nc2sc3ccccc3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ LMNA P02545 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ADORA2A P29274 4/20 0.39
▸ ADORA1 P30542 4/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CASP3 P42574 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ NR1I3 Q14994 1/20 0.36

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
SCHEMBL18553242 0.90 NPC1 (0.47) NPC1HPGDALDH1A1SMN1; SMN2POLB
SCHEMBL18370747 0.85 ADORA2A (0.40) NPC1HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL18370779 0.85 ADORA2A (0.40) NPC1HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL18017767 0.85 ADORA2A (0.40) NPC1HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL18370718 0.85 ADORA2A (0.40) NPC1HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL18370750 0.85 ADORA2A (0.40) NPC1HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL18370776 0.85 ADORA2A (0.40) NPC1HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL18370801 0.85 ADORA2A (0.40) NPC1HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL18370795 0.85 ADORA2A (0.40) NPC1HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL18017810 0.85 ADORA2A (0.40) NPC1HPGDALDH1A1SMN1; SMN2LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024013004-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2024-01-18 — — WO disclosed
WO-2019172623-A1 COMPOUND FOR ORGANIC ELECTRIC DEVICE, ORGANIC ELECTRIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2019-09-12 — — WO disclosed
WO-2019160335-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2019-08-22 — — WO disclosed
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