SCHEMBL203277

SCHEMBL203277

C[C@H](N)CCN(Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 1/20 0.49
REN P00797 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.45

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
Hydrochloric Acid SCHEMBL18342467 0.98 ALDH1A1 (0.49) MEN1KMT2AALDH1A1NPSR1LMNA
Hydrochloric Acid SCHEMBL18342469 0.98 ALDH1A1 (0.49) MEN1KMT2AALDH1A1NPSR1LMNA
Trifluoroacetic Acid SCHEMBL18342384 0.91 ALDH1A1 (0.44) MEN1KMT2AALDH1A1NPSR1LMNA
Trifluoroacetic Acid SCHEMBL20479843 0.91 ALDH1A1 (0.44) MEN1KMT2AALDH1A1NPSR1LMNA
Hydrochloric Acid SCHEMBL28537216 0.89 MEN1 (0.50) MEN1KMT2AALDH1A1NPSR1LMNA
SCHEMBL7996489 0.83 LMNA (0.51) MEN1KMT2AALDH1A1NPSR1LMNA
SCHEMBL3386010 0.83 MEN1 (0.47) MEN1KMT2AALDH1A1NPSR1LMNA
SCHEMBL20479842 0.80 ALDH1A1 (0.43) MEN1KMT2AALDH1A1NPSR1LMNA
SCHEMBL4253478 0.78 CSNK1E (0.51) MEN1KMT2AALDH1A1NPSR1LMNA
Hydrochloric Acid SCHEMBL28542350 0.78 DPP7 (0.47) MEN1KMT2ANPC1RAB9A

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-8088788-B2 Substituted fused[1,2] imidazo[4,5-c] ring compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-03 US disclosed