SCHEMBL8907139

SCHEMBL8907139

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.38
SIGMAR1 Q99720 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 2/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 2/20 0.36
AKR1B1 P15121 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL6483262 0.93 KMT2A (0.40) KMT2ASMN1; SMN2ALDH1A1MEN1RAB9A
SCHEMBL8907736 0.93 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2ALDH1A1MEN1RAB9A
SCHEMBL8907337 0.88 KMT2A (0.49) KMT2ASIGMAR1ALDH1A1MEN1RAB9A
SCHEMBL6475239 0.84 KMT2A (0.40) KMT2ASMN1; SMN2SIGMAR1ALDH1A1MEN1
SCHEMBL8907113 0.81 KMT2A (0.41) KMT2ASIGMAR1ALDH1A1MEN1L3MBTL1
SCHEMBL8907216 0.81 ALDH1A1 (0.50) KMT2ASMN1; SMN2ALDH1A1MEN1RAB9A
SCHEMBL8652620 0.81 NPC1 (0.37) KMT2ASMN1; SMN2ALDH1A1MEN1RAB9A
SCHEMBL8906344 0.81 GAA (0.34) KMT2AL3MBTL1GAALMNA
SCHEMBL6475250 0.80 MEN1 (0.45) KMT2AALDH1A1MEN1MAPK1L3MBTL1
SCHEMBL7960414 0.79 ALDH1A1 (0.36) KMT2AALDH1A1MEN1

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