SCHEMBL8907366

SCHEMBL8907366

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
SIGMAR1 Q99720 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
AKR1B1 P15121 1/20 0.38
NR3C1 P04150 1/20 0.37
IDO1 P14902 1/20 0.37
ATM Q13315 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
SLC18A3 Q16572 1/20 0.34
HSD11B1 P28845 1/20 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
SCHEMBL8907198 0.93 SMN1; SMN2 (0.48) KMT2ASMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL8907206 0.89 KMT2A (0.50) KMT2ASIGMAR1SMN1; SMN2ALDH1A1AKR1B1
SCHEMBL8907213 0.89 KMT2A (0.50) KMT2ASIGMAR1ALDH1A1MAPTAKR1B1
SCHEMBL8906757 0.84 KMT2A (0.48) KMT2ASIGMAR1SMN1; SMN2ALDH1A1AKR1B1
SCHEMBL8906958 0.83 KMT2A (0.47) KMT2ASIGMAR1SMN1; SMN2ALDH1A1AKR1B1
SCHEMBL8907110 0.83 SIGMAR1 (0.46) SIGMAR1NR3C1IDO1
SCHEMBL8906830 0.81 ALDH1A1 (0.48) KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8905502 0.81 SMN1; SMN2 (0.52) KMT2ASMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL6483516 0.81 KMT2A (0.42) KMT2ASMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL6483627 0.81 KMT2A (0.42) KMT2ASMN1; SMN2ALDH1A1MAPTLMNA

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