SCHEMBL11759969

SCHEMBL11759969

CC(=O)c1ccc(NC(=O)C=C(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 8/20 0.68
▸ NPC1 O15118 5/20 0.68
▸ RAB9A P51151 5/20 0.68
▸ HTT P42858 2/20 0.68
▸ GAA P10253 2/20 0.68
▸ TSHR P16473 1/20 0.68
▸ NFKB1 P19838 1/20 0.68
▸ NFKB2 Q00653 1/20 0.68
▸ RELA Q04206 1/20 0.68
▸ MEN1 O00255 3/20 0.67
▸ KMT2A Q03164 3/20 0.67
▸ LMNA P02545 1/20 0.55
▸ MAPT P10636 6/20 0.55
▸ TAAR1 Q96RJ0 1/20 0.55
▸ NLRP1 Q9C000 1/20 0.53
▸ TP53 P04637 3/20 0.51
▸ CASP3 P42574 1/20 0.51
▸ SENP8 Q96LD8 1/20 0.51
▸ SENP7 Q9BQF6 1/20 0.51
▸ SENP6 Q9GZR1 1/20 0.51

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
SCHEMBL20691197 0.84 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AHTTGAA
SCHEMBL20284039 0.82 NPC1 (0.70) SMN1; SMN2NPC1RAB9AHTTGAA
SCHEMBL3713301 0.82 NPC1 (0.70) SMN1; SMN2NPC1RAB9AHTTGAA
SCHEMBL23336506 0.82 NPC1 (0.60) SMN1; SMN2NPC1RAB9AHTTGAA
SCHEMBL7470743 0.81 TGM2 (0.67) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL4135335 0.81 NPC1 (1.00) SMN1; SMN2NPC1RAB9AHTTGAA
SCHEMBL5645657 0.81 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9AHTTGAA
SCHEMBL17675351 0.81 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9AHTTGAA
SCHEMBL2998577 0.81 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AHTTGAA
SCHEMBL11754128 0.80 KMT2A (1.00) SMN1; SMN2NPC1RAB9AHTTGAA

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
US-4010191-A Acyl derivatives of substituted bis-arylalkylamino compounds DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1977-03-01 — — US disclosed
Send feedback