SCHEMBL20408272

SCHEMBL20408272

CCCCCC(=O)Nc1nc2ccc(C)cc2s1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.78
▸ NPC1 O15118 8/20 0.78
▸ POLB P06746 2/20 0.78
▸ MITF O75030 1/20 0.78
▸ APEX1 P27695 1/20 0.78
▸ TDP1 Q9NUW8 1/20 0.78
▸ MAPT P10636 3/20 0.67
▸ KLF5 Q13887 1/20 0.67
▸ SMN1; SMN2 Q16637 11/20 0.67
▸ ALDH1A1 P00352 4/20 0.67
▸ TP53 P04637 2/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.67
▸ LMNA P02545 3/20 0.66
▸ STAT1 P42224 1/20 0.66
▸ ACP1 P24666 1/20 0.66
▸ DYRK1A Q13627 1/20 0.64
▸ CLK1 P49759 1/20 0.61
▸ PTPN1 P18031 1/20 0.61
▸ HTT P42858 2/20 0.60
▸ TSHR P16473 1/20 0.60

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
SCHEMBL19844563 0.88 RAB9A (0.78) RAB9ANPC1POLBMITFAPEX1
SCHEMBL27527831 0.87 RAB9A (0.60) RAB9ANPC1POLBMITFAPEX1
SCHEMBL14189669 0.85 RAB9A (0.74) RAB9ANPC1POLBMITFAPEX1
SCHEMBL3718317 0.85 RAB9A (0.64) RAB9ANPC1POLBMITFAPEX1
SCHEMBL10695859 0.83 MAPT (0.75) RAB9ANPC1POLBMAPTKLF5
SCHEMBL6058019 0.83 LCK (0.74) RAB9ANPC1SMN1; SMN2
SCHEMBL14189673 0.82 RAB9A (0.70) RAB9ANPC1POLBMITFAPEX1
SCHEMBL19844566 0.82 RAB9A (0.70) RAB9ANPC1POLBMITFAPEX1
SCHEMBL27622427 0.82 MAPT (0.77) RAB9ANPC1POLBMAPTKLF5
SCHEMBL20369717 0.82 MAPT (0.77) RAB9ANPC1POLBMAPTKLF5

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
EP-2808383-B1 METHOD FOR INDUCING CARDIAC DIFFERENTIATION OF PLURIPOTENT STEM CELL UNIV KYOTO (JP) 2018-07-25 — — EP disclosed
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