SCHEMBL9729592

SCHEMBL9729592

CO[C](C)Cc1c(F)cccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
GAA P10253 1/20 0.50
LMNA P02545 2/20 0.49
TAAR1 Q96RJ0 1/20 0.49
ALDH1A1 P00352 2/20 0.48
POLB P06746 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 1/20 0.46

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
SCHEMBL9729255 0.87 SMN1; SMN2 (0.43) SMN1; SMN2GAALMNATAAR1ALDH1A1
SCHEMBL838467 0.81 SMN1; SMN2 (0.74) SMN1; SMN2LMNAALDH1A1POLBNPC1
SCHEMBL7638563 0.79 SMN1; SMN2 (0.62) SMN1; SMN2LMNAALDH1A1POLBNPC1
SCHEMBL4532658 0.79 MAPT (0.58) SMN1; SMN2GAATAAR1ALDH1A1POLB
SCHEMBL7962013 0.76 GAA (0.50) SMN1; SMN2GAATAAR1ALDH1A1POLB
SCHEMBL12851348 0.75 TP53 (0.67) SMN1; SMN2LMNAALDH1A1POLBNPC1
SCHEMBL8489211 0.74 TAAR1 (0.55) SMN1; SMN2GAATAAR1ALDH1A1KMT2A
SCHEMBL14814503 0.73 SMN1; SMN2 (0.56) SMN1; SMN2GAALMNAALDH1A1POLB
SCHEMBL29570152 0.73 AKR1B1 (0.74) SMN1; SMN2GAATAAR1ALDH1A1NPC1
SCHEMBL1285811 0.73 AKR1B1 (0.74) SMN1; SMN2GAATAAR1ALDH1A1NPC1

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-5171354-A Herbicides CIBA-GEIGY CORPORATION (US) 1992-12-15 US disclosed