SCHEMBL7626993

SCHEMBL7626993

CC(Nc1ncnc(Cl)n1)NC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.33
PDE4A P27815 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB1 P19838 1/20 0.30

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
SCHEMBL8724600 0.83 PDE4A (0.40) GAATDP1PDE4A
SCHEMBL11568367 0.78 GAA (0.59) GAATDP1LMNASMN1; SMN2CYP1A2
SCHEMBL8432702 0.74 SMN1; SMN2 (0.59) GAALMNASMN1; SMN2CYP1A2PDE4A
SCHEMBL22515592 0.68 GAA (0.34) GAATDP1
SCHEMBL374336 0.68
SCHEMBL27430762 0.67 SCN9A (0.53) LMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL10444894 0.64 LMNA (0.37) LMNASMN1; SMN2CYP1A2PDE4ACYP2C19
SCHEMBL5136694 0.64 TBK1 (0.36) GAASMN1; SMN2
SCHEMBL5136692 0.64 TBK1 (0.36) GAASMN1; SMN2
SCHEMBL5137510 0.64 TBK1 (0.36) GAASMN1; SMN2

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
WO-2002058470-A1 LIQUID MIXTURES CONTAINING METAZACHLOR BASF AKTIENGESELLSCHAFT (DE) 2002-08-01 WO disclosed