SCHEMBL11537455

SCHEMBL11537455

CCC(C)C(C)NC(=O)c1snnc1C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 5/20 0.46
POLB P06746 4/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 3/20 0.46
USP2 O75604 1/20 0.42
KDM4E B2RXH2 1/20 0.41
AGTR1 P30556 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL12801566 0.74 LMNA (0.53) GAATDP1ALDH1A1POLBNPC1
SCHEMBL108862 0.73 LMNA (0.56) GAATDP1ALDH1A1POLBNPC1
SCHEMBL11536851 0.73 ALDH1A1 (0.49) GAATDP1ALDH1A1POLBNPC1
SCHEMBL6361527 0.71 LMNA (0.50) GAATDP1ALDH1A1POLBNPC1
SCHEMBL12292649 0.71 LMNA (0.57) GAATDP1ALDH1A1POLBNPC1
SCHEMBL11543815 0.71 LMNA (0.61) GAATDP1ALDH1A1POLBNPC1
SCHEMBL11539400 0.69 LMNA (0.48) GAATDP1ALDH1A1POLBNPC1
SCHEMBL11265208 0.68 BRD4 (0.42) GAATDP1ALDH1A1POLBNPC1
SCHEMBL11537526 0.68 LMNA (0.43) GAATDP1ALDH1A1POLBNPC1
SCHEMBL13415875 0.68 MAPT (0.47) GAATDP1ALDH1A1POLBNPC1

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-4177054-A PREEMERGENT AND POSTEMERGENT SCHERING AKTIENGESELLSCHAFT (DE) 1979-12-04 US disclosed