SCHEMBL27852729

SCHEMBL27852729

O=C(CCl)Nc1ccc(-c2nc3ccccc3s2)cn1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ MGLL Q99685 13/20 0.51
▸ MAPT P10636 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ MMP2 P08253 1/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ MMP8 P22894 1/20 0.49
▸ MMP13 P45452 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL27452146 0.83 NPC1 (0.55) RAB9ANPC1MEN1KMT2AMGLL
SCHEMBL7110254 0.83 MGLL (0.72) RAB9ANPC1MEN1KMT2AMGLL
Hydrochloric Acid SCHEMBL7108023 0.81 MGLL (0.70) RAB9ANPC1MEN1KMT2AMGLL
SCHEMBL27451640 0.80 NPC1 (0.58) RAB9ANPC1MEN1KMT2AMGLL
SCHEMBL3947436 0.78 DYRK1A (0.57) RAB9ANPC1MGLLMAPTSMN1; SMN2
SCHEMBL7107229 0.77 APP (0.63) RAB9ANPC1MEN1KMT2AMGLL
SCHEMBL2055238 0.77 APP (0.67) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL16436146 0.77 RAB9A (0.67) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL16238156 0.76 NPC1 (0.61) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4858014 0.74 CSNK1D (0.69) RAB9ANPC1MEN1KMT2AMAPT

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
CN-102036972-A Treatment of duchenne muscular dystrophy SUMMIT CORP PLC 2011-04-27 — — CN disclosed
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