SCHEMBL9712552

SCHEMBL9712552

COc1ccc(C(=O)c2c(C)cccc2C(=O)Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
HPGD P15428 1/20 0.50
RAB9A P51151 3/20 0.46
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 2/20 0.46
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
ACHE P22303 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HTT P42858 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43

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
Hydrochloric Acid SCHEMBL8178801 0.89 KMT2A (0.45) KMT2AHPGDRAB9AMAPTNPSR1
SCHEMBL11842426 0.86 CA1 (0.53) KMT2AHPGDRAB9AMAPTNPSR1
SCHEMBL15760640 0.85 KMT2A (0.56) KMT2AHPGDRAB9AMAPTNPSR1
SCHEMBL9712534 0.85 CES2 (0.53) KMT2ARAB9AMEN1NPC1CES2
SCHEMBL9712453 0.84 LMNA (0.49) KMT2AHPGDRAB9AMAPTNPSR1
SCHEMBL9712837 0.83 ALDH1A1 (0.39) KMT2AHPGDRAB9AMAPTLMNA
SCHEMBL27321464 0.82 AKR1C3 (0.46) KMT2AHPGDRAB9AMAPTNPSR1
SCHEMBL11842416 0.82 KMT2A (0.55) KMT2AHPGDRAB9AMAPTNPSR1
SCHEMBL9712341 0.81 KMT2A (0.71) KMT2AHPGDRAB9AMAPTNPSR1
SCHEMBL7583543 0.80 KMT2A (0.65) KMT2AHPGDRAB9AMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5117057-A Insecticidal N' substituted-N-N'-disubstituted-hydrazines ROHM AND HAAS COMPANY (US) 1992-05-26 US disclosed