SCHEMBL16451217

SCHEMBL16451217

C=C(C)c1ccc(C(=O)Nc2cccc(NC)c2)o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.58
▸ MAPT P10636 7/20 0.52
▸ TSHR P16473 2/20 0.52
▸ RAB9A P51151 7/20 0.50
▸ HTT P42858 2/20 0.50
▸ ALDH1A1 P00352 6/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ NPC1 O15118 4/20 0.48
▸ LMNA P02545 3/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ POLB P06746 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ HPGD P15428 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ MAPK10 P53779 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ PAX8 Q06710 1/20 0.44

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
SCHEMBL16451213 0.88 SMN1; SMN2 (0.61) SMN1; SMN2MAPTTSHRRAB9AHTT
SCHEMBL16451216 0.86 SMN1; SMN2 (0.58) SMN1; SMN2MAPTTSHRRAB9AHTT
SCHEMBL16451214 0.83 MAPT (0.64) SMN1; SMN2MAPTTSHRRAB9AHTT
SCHEMBL16451215 0.83 MAPT (0.60) SMN1; SMN2MAPTTSHRRAB9AHTT
SCHEMBL17899811 0.74 SMN1; SMN2 (1.00) SMN1; SMN2MAPTTSHRRAB9AHTT
SCHEMBL22822623 0.73 MAPT (0.65) SMN1; SMN2MAPTTSHRRAB9AHTT
SCHEMBL31689731 0.73 MAPT (0.65) SMN1; SMN2MAPTTSHRRAB9AHTT
SCHEMBL1487964 0.72 ALDH1A1 (0.66) SMN1; SMN2MAPTRAB9AALDH1A1MEN1
SCHEMBL17013407 0.72 KCNK3 (0.69) MAPTMEN1KMT2APOLBPKM
SCHEMBL24193768 0.71 KMT2A (0.57) SMN1; SMN2RAB9AALDH1A1MEN1KMT2A

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-20150044927-A1 FURAN BASED POLYAMIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2015-02-12 — — US disclosed
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