SCHEMBL10945982

SCHEMBL10945982

CC(C)(C(=O)c1ccc2sc3ccc(C(=O)C(C)(C)N4CCCCC4)cc3c(=O)c2c1)N1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ GFER P55789 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MAPT P10636 4/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL10941136 0.97 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AGFERALDH1A1
SCHEMBL10949232 0.94 KDM4E (0.44) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL10943838 0.91 KDM4E (0.41) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL10943646 0.87 ALDH1A1 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1TSHR
SCHEMBL10942241 0.84 ALDH1A1 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1TSHR
SCHEMBL9679487 0.82 ALDH1A1 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1TSHR
SCHEMBL10941375 0.81 NPC1 (0.48) SMN1; SMN2NPC1RAB9AGFERALDH1A1
SCHEMBL10944755 0.81 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AGFERALDH1A1
SCHEMBL10943648 0.81 KDM4E (0.40) SMN1; SMN2NPC1RAB9AGFERALDH1A1
SCHEMBL10946025 0.79 ALDH1A1 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1TSHR

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
US-4496447-A PHOTOPOLYMERIZATION OF UNSATURATED COMPOUNDS AND FOR CURING PRINTING INKS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1985-01-29 — — US disclosed
US-4374984-A Aromatic-aliphatic ketones useful as photoinitiators MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-02-22 — — US disclosed
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