SCHEMBL9865334

SCHEMBL9865334

CCc1ccccc1[N]c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
CRHBP P24387 2/20 0.39
CRHR2 Q13324 2/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SIGMAR1 Q99720 3/20 0.37
PKM P14618 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
CRHR1 P34998 3/20 0.35
GABRA1 P14867 3/20 0.34

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
SCHEMBL9865745 0.80 SIGMAR1 (0.42) MAPTSIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL49570 0.75 SIGMAR1 (0.47) MAPTSIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL8589377 0.74 GABRA1 (0.40) MAPTKMT2AMEN1SMN1; SMN2CRHBP
SCHEMBL4083264 0.73 NPC1 (0.48) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL6380460 0.69 NPC1 (0.46) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL24815612 0.67 ALDH1A1 (0.50) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL15261382 0.67 ALDH1A1 (0.50) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL15274890 0.67 SIGMAR1 (0.47) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL21102318 0.67 SIGMAR1 (0.47) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL9288060 0.67 ALOX5AP (0.46) MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5011938-A Antimicrobials ELI LILLY AND COMPANY (US) 1991-04-30 US disclosed
US-4940718-A BACTERICIDES ELI LILLY AND COMPANY (US) 1990-07-10 US disclosed
EP-0202046-A1 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-20 EP disclosed