SCHEMBL9759720

SCHEMBL9759720

CC(C)CCNC(=O)c1ccc2c(c1)N(C(C)CN1CCC[C@@H]1CO)c1ccccc1S2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
TP53 P04637 3/20 0.45
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CNR1 P21554 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
RAD52 P43351 1/20 0.37
NAMPT P43490 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL9759228 1.00 LMNA (0.51) LMNATP53MEN1KMT2ACNR1
SCHEMBL9759168 0.90 LMNA (0.40) LMNATP53MEN1KMT2AALDH1A1
SCHEMBL9758857 0.90 LMNA (0.40) LMNATP53MEN1KMT2AALDH1A1
SCHEMBL9759471 0.90 LMNA (0.48) LMNATP53MEN1KMT2ACNR1
Hydrochloric Acid SCHEMBL9759731 0.89 LMNA (0.39) LMNATP53MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL9759137 0.89 LMNA (0.47) LMNATP53MEN1KMT2ACNR1
SCHEMBL9759727 0.85 LMNA (0.51) LMNATP53MEN1KMT2ACNR1
SCHEMBL9759239 0.85 LMNA (0.51) LMNATP53MEN1KMT2ACNR1
SCHEMBL9331837 0.84 LMNA (0.58) LMNATP53MEN1KMT2ACNR1
SCHEMBL9331548 0.84 LMNA (0.58) LMNATP53MEN1KMT2ACNR1

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-4985419-A Analgesics, Diuretics RHONE-POULENC SANTE (FR) 1991-01-15 US disclosed