SCHEMBL3248953

SCHEMBL3248953

O=C1NC2(CCNCC2)C(=O)N1Cc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
KMT2A Q03164 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.53
LMNA P02545 4/20 0.53
MAPK1 P28482 2/20 0.53
MAPT P10636 1/20 0.52
HTT P42858 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
AKR1B1 P15121 1/20 0.46
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL14197242 0.87 ALDH1A1 (0.56) ALDH1A1KMT2ASMN1; SMN2LMNAMAPK1
SCHEMBL3249503 0.86 KMT2A (0.75) ALDH1A1KMT2ASMN1; SMN2LMNAMAPK1
Hydrochloric Acid SCHEMBL4830876 0.85 ALDH1A1 (0.55) ALDH1A1KMT2ASMN1; SMN2LMNAMAPK1
Hydrochloric Acid SCHEMBL23610493 0.85 KMT2A (0.73) ALDH1A1KMT2ASMN1; SMN2LMNAMAPK1
SCHEMBL21764931 0.84 ALDH1A1 (0.53) ALDH1A1KMT2ASMN1; SMN2LMNAMAPK1
SCHEMBL3130369 0.84 ALDH1A1 (0.56) ALDH1A1KMT2ASMN1; SMN2LMNAMAPK1
SCHEMBL13043452 0.83 KMT2A (0.57) ALDH1A1KMT2ASMN1; SMN2LMNAMAPK1
Hydrochloric Acid SCHEMBL21753322 0.83 ALDH1A1 (0.52) ALDH1A1KMT2ASMN1; SMN2LMNAMAPK1
SCHEMBL21765255 0.82 ALDH1A1 (0.51) ALDH1A1KMT2ASMN1; SMN2LMNAMAPK1
Hydrochloric Acid SCHEMBL3394599 0.82 KMT2A (0.56) ALDH1A1KMT2ASMN1; SMN2LMNAMAPK1

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
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed