SCHEMBL10892136

SCHEMBL10892136

CNC(=O)Nc1nnc(SC(C)C)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
RAB9A P51151 7/20 0.54
NPC1 O15118 4/20 0.54
POLB P06746 1/20 0.49
G6PD P11413 1/20 0.49
ALOX15 P16050 1/20 0.48
TP53 P04637 1/20 0.44
LMNA P02545 3/20 0.41
HTT P42858 3/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 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
SCHEMBL8779422 0.83 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL10566898 0.81 RAB9A (0.56) ALDH1A1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL13411701 0.78 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL11540934 0.77 SMN1; SMN2 (0.66) ALDH1A1SMN1; SMN2RAB9ANPC1ALOX15
SCHEMBL11723544 0.77 RAB9A (0.57) ALDH1A1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL11625570 0.75 TP53 (0.61) RAB9ANPC1TP53LMNAMAPT
SCHEMBL9720512 0.75 RAB9A (0.67) ALDH1A1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL10889232 0.73 MAPT (0.63) ALDH1A1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL10800511 0.73 RAB9A (0.57) ALDH1A1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL15503847 0.72 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2RAB9ANPC1POLB

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-4599424-A PRE-AND POSTEMERGENCE RHONE-POULENC, INC. (US) 1986-07-08 US disclosed
US-4175081-A PLANT GROWTH REGULATORS, HERBICIDES MOBIL OIL CORPORATION (US) 1979-11-20 US disclosed