SCHEMBL18556770

SCHEMBL18556770

NC1CCCC(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ULK1 O75385 3/20 0.32
▸ CDK9 P50750 2/20 0.31
▸ SMYD3 Q9H7B4 2/20 0.31
▸ TRPM8 Q7Z2W7 2/20 0.30
▸ HPGD P15428 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
SCHEMBL20767013 0.84 KMT2A (0.53) HTTKMT2ASMN1; SMN2TDP1TSHR
SCHEMBL6937970 0.82 HTT (0.41) HTTKMT2ASMN1; SMN2TDP1TSHR
SCHEMBL27302811 0.79 TSHR (0.47) HTTKMT2ASMN1; SMN2TDP1TSHR
SCHEMBL20766727 0.77 KMT2A (0.42) HTTKMT2ASMN1; SMN2TDP1TSHR
SCHEMBL21705619 0.76 KMT2A (0.39) HTTKMT2ASMN1; SMN2TDP1KDM1A
SCHEMBL1543564 0.75 SMN1; SMN2 (0.43) SMN1; SMN2CHRM2CHRM4CHRM3ULK1
SCHEMBL28410100 0.75 SMN1; SMN2 (0.43) SMN1; SMN2CHRM2CHRM4CHRM3ULK1
SCHEMBL14166088 0.75 SMN1; SMN2 (0.43) SMN1; SMN2CHRM2CHRM4CHRM3ULK1
SCHEMBL1543565 0.75 SMN1; SMN2 (0.43) SMN1; SMN2CHRM2CHRM4CHRM3ULK1
SCHEMBL2983518 0.75 SMN1; SMN2 (0.43) SMN1; SMN2CHRM2CHRM4CHRM3ULK1

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-9579390-B2 Compounds and methods for producing a conjugate REDWOOD BIOSCIENCE, INC. (US) 2017-02-28 — — US disclosed
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