SCHEMBL19612839

SCHEMBL19612839

CCCCCC(CC)NC(=O)Nc1c(C)cc(C)cc1C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PYGL P06737 3/20 0.49
CYP2C9 P11712 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.44
LCK P06239 1/20 0.42
LMNA P02545 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
NR1I2 O75469 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.40
NLRP3 Q96P20 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
SCHEMBL19612837 0.83 MAPK1 (0.52) MEN1KMT2ASMN1; SMN2LMNATAS1R3
SCHEMBL19612835 0.79 PKM (0.54) MEN1KMT2APOLBALDH1A1
SCHEMBL17672410 0.76 PKM (0.45) PYGLPOLBLMNATAS1R3TAS1R1
SCHEMBL529507 0.71 PLA2G2C (0.46) LCKMAPT
SCHEMBL14049582 0.71 HPGD (0.72) CYP2C9MEN1KMT2AHPGDPOLB
SCHEMBL13624110 0.71 ANPEP (0.56) CYP2C9MEN1KMT2AHPGDPOLB
SCHEMBL4448022 0.71 ALDH1A1 (0.65) MEN1KMT2AHPGDPOLBLMNA
SCHEMBL11292593 0.70 PLA2G2C (0.49) LCKMAPT
Hydrochloric Acid SCHEMBL28811673 0.70 PLA2G2C (0.45) LCKMAPT
SCHEMBL28618729 0.70 PLA2G2C (0.49) LCKMAPT

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-20170335071-A1 COMPOSITION CONTAINING BIS-UREAS FOR FORMING STABLE GELS SORBONNE UNIVERSITE (FR) 2017-11-23 US disclosed