SCHEMBL8907198

SCHEMBL8907198

COC(=O)C1(NC(=O)Cc2c(F)cccc2Cl)CCC(c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.44
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
P2RX7 Q99572 1/20 0.42
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CFTR P13569 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL8907366 0.93 KMT2A (0.46) SMN1; SMN2ALDH1A1LMNAKMT2AMAPT
SCHEMBL8906830 0.90 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1POLBKMT2AGAA
SCHEMBL8905502 0.90 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1LMNAPOLBKMT2A
SCHEMBL8906891 0.86 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1LMNAPOLBKMT2A
SCHEMBL8906884 0.85 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1LMNAPOLBKMT2A
SCHEMBL8906443 0.85 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1LMNAPOLBKMT2A
SCHEMBL8906521 0.83 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1LMNAPOLBKMT2A
SCHEMBL8907213 0.82 KMT2A (0.50) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL8907206 0.82 KMT2A (0.50) SMN1; SMN2ALDH1A1LMNAKMT2AP2RX7
SCHEMBL6767239 0.81 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1LMNAPOLBKMT2A

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