SCHEMBL23864564

SCHEMBL23864564

C=C(C)c1cccc(C#N)c1C(=C)Nc1ccc(CCCC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.50
▸ RAB9A P51151 6/20 0.50
▸ HPGD P15428 5/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ CASP3 P42574 2/20 0.50
▸ SENP8 Q96LD8 2/20 0.50
▸ SENP7 Q9BQF6 2/20 0.50
▸ SENP6 Q9GZR1 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ POLB P06746 1/20 0.43
▸ TP53 P04637 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX12 P18054 1/20 0.39

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
SCHEMBL23864305 0.91 NPC1 (0.47) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL23864295 0.84 POLB (0.46) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL16088634 0.78 TRPV1 (0.52) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL16088655 0.78 TRPV1 (0.52) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL23864512 0.77 ITGB1 (0.52) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL23864237 0.76 POLB (0.45) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL23864215 0.75 POLB (0.44) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL23864567 0.75 POLB (0.50) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL23864709 0.72 TSHR (0.36) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL23864538 0.72 TSHR (0.41) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1

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
EP-2968330-B1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS SCRIPPS RESEARCH INST (US) 2021-09-29 — — EP disclosed
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