SCHEMBL9787986

SCHEMBL9787986

CCCCCCCCCCCC1=NCCN1CCCCO

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
GBA1 P04062 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
SPHK1 Q9NYA1 3/20 0.32
SPHK2 Q9NRA0 2/20 0.32
DRD4 P21917 1/20 0.32

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
SCHEMBL7602761 1.00 LMNA (0.39) LMNAMEN1KMT2AALDH1A1HSD17B10
SCHEMBL8022107 0.95 LMNA (0.36) LMNAMEN1KMT2AALDH1A1HSD17B10
SCHEMBL8035792 0.95 LMNA (0.36) LMNAMEN1KMT2AALDH1A1HSD17B10
SCHEMBL8038264 0.95 LMNA (0.36) LMNAMEN1KMT2AALDH1A1HSD17B10
SCHEMBL8038172 0.95 LMNA (0.36) LMNAMEN1KMT2AALDH1A1HSD17B10
SCHEMBL8032050 0.95 LMNA (0.36) LMNAMEN1KMT2AALDH1A1HSD17B10
SCHEMBL8031914 0.95 LMNA (0.36) LMNAMEN1KMT2AALDH1A1HSD17B10
SCHEMBL9787947 0.92 MEN1 (0.39) MEN1KMT2AALDH1A1GBA1CYP1A2
SCHEMBL11138036 0.92 MEN1 (0.39) MEN1KMT2AALDH1A1GBA1CYP1A2
SCHEMBL4665795 0.92 MEN1 (0.39) MEN1KMT2AALDH1A1GBA1CYP1A2

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-5030629-A Transdermal Administration Of Cardiovascular Agents THERAPEUTIC PATCH RESEARCH N.V. 1991-07-09 US disclosed