SCHEMBL11709369

SCHEMBL11709369

N#CCCNc1cccc(NC(=O)c2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 9/20 0.64
▸ KCNK9 Q9NPC2 7/20 0.64
▸ SIRT1 Q96EB6 1/20 0.57
▸ KMT2A Q03164 8/20 0.57
▸ MEN1 O00255 7/20 0.57
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ HPGD P15428 1/20 0.56
▸ TP53 P04637 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ POLB P06746 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ LPAR3 Q9UBY5 1/20 0.51

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
SCHEMBL11758098 0.92 HDAC1 (0.54) KCNK3KCNK9SIRT1KMT2AMEN1
SCHEMBL7604268 0.82 AKR1C3 (0.56) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL31435989 0.81 POLB (0.54) KMT2AMEN1RAB9ATP53POLB
SCHEMBL11675911 0.81 POLB (0.54) KMT2AMEN1RAB9ATP53POLB
SCHEMBL11325806 0.80 KCNK3 (0.55) KCNK3KCNK9SIRT1KMT2AMEN1
SCHEMBL11707335 0.80 HTT (0.45) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL11252585 0.80 HTT (0.61) KMT2AMEN1ALDH1A1MAPT
SCHEMBL2298254 0.80 KCNK3 (1.00) KCNK3KCNK9SIRT1KMT2AMEN1
SCHEMBL11705246 0.79 HTT (0.48) NPC1RAB9AALDH1A1MAPT
SCHEMBL11706995 0.79 RAB9A (0.59) KMT2AMEN1NPC1RAB9ASMN1; 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
US-4036824-A Disazo dyestuffs containing A-O-alkylene-O-SO3 H group BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 — — US disclosed
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