SCHEMBL27371685

SCHEMBL27371685

Fc1cccc2c(NCCC3=CCCCC3)ncnc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.62
▸ ALDH1A1 P00352 5/20 0.62
▸ SMN1; SMN2 Q16637 5/20 0.62
▸ HTT P42858 4/20 0.62
▸ KDM4E B2RXH2 3/20 0.62
▸ LMNA P02545 3/20 0.62
▸ RAB9A P51151 2/20 0.62
▸ GALR3 O60755 1/20 0.62
▸ GAA P10253 1/20 0.62
▸ TP53 P04637 4/20 0.55
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ HPGD P15428 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ POLB P06746 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ ALOX15 P16050 2/20 0.41
▸ AURKA O14965 5/20 0.41
▸ RPS6KB1 P23443 5/20 0.41

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
SCHEMBL7510673 0.82 ALDH1A1 (0.47) MAPTALDH1A1SMN1; SMN2HTTKDM4E
SCHEMBL24196743 0.81 ALDH1A1 (0.51) MAPTALDH1A1SMN1; SMN2HTTKDM4E
SCHEMBL8543977 0.76 HTT (0.64) MAPTSMN1; SMN2HTTLMNAMEN1
SCHEMBL8546280 0.76 GALR3 (0.51) MAPTHTTLMNAGALR3TP53
SCHEMBL8547776 0.75 HTT (0.54) MAPTALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL26255153 0.75 ALDH1A1 (0.60) MAPTALDH1A1SMN1; SMN2HTTKDM4E
SCHEMBL24197153 0.74 ALDH1A1 (0.59) MAPTALDH1A1SMN1; SMN2HTTKDM4E
SCHEMBL24196741 0.73 HTT (0.54) MAPTALDH1A1SMN1; SMN2HTTKDM4E
SCHEMBL8542136 0.73 AURKA (0.48) HTTLMNAGALR3MAPK1AURKA
SCHEMBL8544656 0.73 CCNC (0.55) MAPTSMN1; SMN2HTTLMNARAB9A

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-1052379-C Quinazoline derisatives DOWELANCO (US) 2000-05-17 — — CN disclosed
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