SCHEMBL11540934

SCHEMBL11540934

CCSc1nnc(NC(=O)NC)s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.66
RAB9A P51151 8/20 0.66
HTT P42858 5/20 0.64
LMNA P02545 4/20 0.64
ALDH1A1 P00352 6/20 0.63
HIF1A Q16665 3/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
MAPK1 P28482 2/20 0.63
NPSR1 Q6W5P4 1/20 0.63
NPC1 O15118 7/20 0.59
TP53 P04637 3/20 0.59
MAPT P10636 2/20 0.59
HPGD P15428 2/20 0.59
TSHR P16473 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
KDM4E B2RXH2 2/20 0.58

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
SCHEMBL9720512 0.88 RAB9A (0.67) SMN1; SMN2RAB9AHTTLMNAALDH1A1
SCHEMBL10800511 0.85 RAB9A (0.57) SMN1; SMN2RAB9AHTTLMNAALDH1A1
SCHEMBL11625570 0.84 TP53 (0.61) RAB9ALMNANPC1TP53MAPT
SCHEMBL5181389 0.83 SMN1; SMN2 (0.69) SMN1; SMN2RAB9AHTTLMNAALDH1A1
SCHEMBL10889232 0.82 MAPT (0.63) SMN1; SMN2RAB9AHTTLMNAALDH1A1
SCHEMBL10566898 0.81 RAB9A (0.56) SMN1; SMN2RAB9AHTTLMNAALDH1A1
SCHEMBL16453857 0.81 SMN1; SMN2 (0.75) SMN1; SMN2RAB9AHTTLMNAALDH1A1
SCHEMBL28455637 0.79 SMN1; SMN2 (0.73) SMN1; SMN2RAB9AHTTLMNAALDH1A1
SCHEMBL7923957 0.79 SMN1; SMN2 (0.73) SMN1; SMN2RAB9AHTTLMNAALDH1A1
SCHEMBL13411701 0.78 ALDH1A1 (0.49) SMN1; SMN2RAB9AHTTLMNAALDH1A1

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-4154597-A COTTON AND CEREAL CROPS BAYER AKTIENGESELLSCHAFT (DE) 1979-05-15 US disclosed