SCHEMBL9239495

SCHEMBL9239495

CCOC(=O)C(CCc1ccccc1)NCCc1c[nH]cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ ACE P12821 8/20 0.41
▸ ABCB11 O95342 2/20 0.41
▸ LMNA P02545 2/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ USP2 O75604 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ AGTR2 P50052 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 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
SCHEMBL9238392 0.87 GGT1 (0.47) ACECTSSCTSKCTSL
SCHEMBL15387340 0.81 ALDH1A1 (0.34) SMN1; SMN2KMT2AKDM4EHPGDHSD17B10
SCHEMBL9239503 0.78 CYP3A4 (0.40) SMN1; SMN2CYP3A4MAPTELANEMMP8
SCHEMBL1667207 0.76 GGT1 (0.42) SMN1; SMN2ACEMEN1KMT2ACYP3A4
SCHEMBL1667210 0.76 GGT1 (0.42) SMN1; SMN2ACEMEN1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL11206033 0.76 SMN1; SMN2 (0.50) SMN1; SMN2ACEABCB11LMNACYP3A4
SCHEMBL3337996 0.76 CTSK (0.39) MEN1KMT2AMAPTCTSK
SCHEMBL10482405 0.75 SMN1; SMN2 (0.55) SMN1; SMN2ACEABCB11LMNAMEN1
SCHEMBL14265369 0.75 SMN1; SMN2 (0.55) SMN1; SMN2ACEABCB11LMNAMEN1
SCHEMBL9237438 0.75 MASP2 (0.40) —

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-0675112-A1 Imidazole-containing inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 1995-10-04 — — EP disclosed
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