SCHEMBL9798372

SCHEMBL9798372

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=Cc1ccc(C=O)cc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.44
KCNH2 Q12809 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CNR2 P34972 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
NAAA Q02083 1/20 0.39
NPC1 O15118 1/20 0.39
JAK2 O60674 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39
TACR1 P25103 1/20 0.39

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
SCHEMBL5499677 0.88 LMNA (0.47) TDP1LMNAKCNH2GAAHPGD
SCHEMBL2428644 0.88 LMNA (0.47) TDP1LMNAKCNH2GAAHPGD
SCHEMBL6379933 0.84 HPGD (0.45) TDP1LMNAGAAHPGDCES2
SCHEMBL6090753 0.84 HPGD (0.45) TDP1LMNAGAAHPGDCES2
SCHEMBL5709306 0.79 ALDH1A1 (0.47) TDP1LMNAGAAHPGDNPC1
SCHEMBL3146684 0.78 MLYCD (0.49) TDP1LMNAGAAHPGDCES1
SCHEMBL3359317 0.78 LMNA (0.46) TDP1LMNAKCNH2TACR1
SCHEMBL5128478 0.78 LMNA (0.41) TDP1LMNAKCNH2GAAHPGD
SCHEMBL13617659 0.77 CNR2 (0.53) GAAHPGDCNR2
SCHEMBL28927275 0.77 CNR2 (0.53) GAAHPGDCNR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0411103-A1 NON-LINEAR OPTICAL MATERIALS WITH VICINAL DONOR OR ACCEPTOR GROUPS MERCK PATENT GmbH (DE) 1991-02-06 EP disclosed
WO-1990009616-A1 NON-LINEAR OPTICAL MATERIALS WITH VICINAL DONOR OR ACCEPTOR GROUPS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-08-23 WO disclosed