SCHEMBL11554022

SCHEMBL11554022

N#Cc1ccccc1COC(=O)C1Cc2sccc2CN1Cc1ccccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ ACE P12821 1/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL11562628 0.82 ALDH1A1 (0.46) NPC1RAB9AALDH1A1KDM4ETSHR
SCHEMBL11427641 0.78 ACE (0.42) TDP1ALDH1A1ACE
Hydrochloric Acid SCHEMBL11560085 0.77 ACE (0.41) TDP1ACE
SCHEMBL11563644 0.71 FKBP1A (0.42) TDP1ALDH1A1
SCHEMBL11562455 0.70 MMP9 (0.45) RAB9AACESMN1; SMN2
SCHEMBL11559591 0.70 CYP1A2 (0.51) NPC1RAB9ACASP3SENP8ALDH1A1
SCHEMBL11559129 0.70 ACE (0.41) ACESMN1; SMN2LMNA
SCHEMBL6669803 0.69 NPC1 (0.51) BRD4NPC1RAB9ACASP3SENP8
SCHEMBL11428707 0.69 CA9 (0.41) TDP1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL11557147 0.67 ACE (0.53) ACE

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-4147787-A ANTICOAGULANTS PARCOR (FR) 1979-04-03 — — US disclosed
Send feedback