SCHEMBL4670795

SCHEMBL4670795

O=C(NCc1ccc(F)cc1)N1CC[N]CC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.59
ALDH1A1 P00352 1/20 0.59
TSHR P16473 1/20 0.59
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
NPC1 O15118 1/20 0.58
PKM P14618 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
KIT P10721 4/20 0.50
ADRB2 P07550 1/20 0.50
APLNR P35414 1/20 0.50
GLP1R P43220 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GPR119 Q8TDV5 1/20 0.50
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL4559263 0.86 TP53 (0.63) TP53ALDH1A1TSHRMEN1KMT2A
SCHEMBL4671180 0.84 KDM4E (0.64) TP53ALDH1A1TSHRMEN1KMT2A
SCHEMBL5956394 0.82 TP53 (0.59) TP53ALDH1A1TSHRMEN1KMT2A
SCHEMBL5474021 0.82 MEN1 (0.76) TP53ALDH1A1TSHRMEN1KMT2A
SCHEMBL7095416 0.81 ALDH1A1 (0.68) TP53ALDH1A1TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL28550900 0.81 TP53 (0.58) TP53ALDH1A1TSHRMEN1KMT2A
SCHEMBL7095047 0.79 ALDH1A1 (0.67) TP53ALDH1A1TSHRMEN1KMT2A
SCHEMBL6618388 0.76 POLB (0.65) ALDH1A1MEN1KMT2ANPC1PKM
SCHEMBL13873489 0.76 ALDH1A1 (0.62) TP53ALDH1A1TSHRMEN1KMT2A
SCHEMBL15504601 0.75 TP53 (0.55) TP53ALDH1A1TSHRMEN1KMT2A

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
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed