SCHEMBL8907736

SCHEMBL8907736

COC(=O)C1(NC(=O)Cc2c(F)cccc2Cl)CCCCC1C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 4/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL8907139 0.93 KMT2A (0.47) SMN1; SMN2ALDH1A1KMT2AGAALMNA
SCHEMBL8907216 0.90 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1KMT2AGAALMNA
SCHEMBL6483262 0.88 KMT2A (0.40) SMN1; SMN2ALDH1A1KMT2AGAALMNA
SCHEMBL8907337 0.82 KMT2A (0.49) ALDH1A1KMT2AGAAMEN1RAB9A
SCHEMBL8905502 0.80 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1KMT2AGAALMNA
SCHEMBL6475239 0.80 KMT2A (0.40) SMN1; SMN2ALDH1A1KMT2ALMNAMEN1
SCHEMBL8906510 0.79 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1KMT2AGAALMNA
SCHEMBL8906521 0.78 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1KMT2AGAALMNA
SCHEMBL8907113 0.77 KMT2A (0.41) ALDH1A1KMT2AMEN1
SCHEMBL8906891 0.76 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1KMT2AGAALMNA

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
US-5677449-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-14 US disclosed
US-5462913-A Pesticides, insecticides, miticides, herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed