SCHEMBL10569697

SCHEMBL10569697

O=P(OCl)(OCC1CCCO1)OCC1CCCO1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
ANPEP P15144 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
GRM5 P41594 1/20 0.33
TSHR P16473 1/20 0.33
MCL1 Q07820 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL5956975 0.89 LMNA (0.49) LMNAPOLBALDH1A1NPC1RAB9A
SCHEMBL20101562 0.82 LMNA (0.44) LMNAPOLBALDH1A1NPC1RAB9A
SCHEMBL23450919 0.81 LMNA (0.50) LMNAPOLBALDH1A1NPC1RAB9A
SCHEMBL10569690 0.81 LMNA (0.46) LMNAPOLBALDH1A1NPC1RAB9A
SCHEMBL23817360 0.79 LMNA (0.44) LMNAPOLBALDH1A1NPC1RAB9A
SCHEMBL24245269 0.79 LMNA (0.44) LMNAPOLBALDH1A1NPC1RAB9A
SCHEMBL26263091 0.78 LMNA (0.41) LMNAPOLBALDH1A1NPC1RAB9A
SCHEMBL23602333 0.78 LMNA (0.50) LMNAPOLBALDH1A1NPC1RAB9A
SCHEMBL17525783 0.78 LMNA (0.50) LMNAPOLBALDH1A1NPC1RAB9A
SCHEMBL6278883 0.78 LMNA (0.46) LMNAPOLBALDH1A1NPC1RAB9A

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-4851399-A Isoquinoline derivatives and their use as anti-cancer agents GLAXO GROUP LIMITED (GB) 1989-07-25 US disclosed