SCHEMBL29649186

SCHEMBL29649186

O=C(O)c1ccc2ncn(CCCCCO)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 2/20 0.50
▸ PLA2G4A P47712 1/20 0.48
▸ LMNA P02545 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ TBXA2R P21731 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ F10 P00742 1/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ EGLN3 Q9H6Z9 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL29738122 0.89 FGFR1 (0.55) FGFR1PLA2G4ALMNAALDH1A1TBXA2R
SCHEMBL29465809 0.85 MTNR1A (0.47) FGFR1PLA2G4ALMNASMN1; SMN2ALOX15
SCHEMBL2936871 0.82 PLA2G4A (0.49) FGFR1PLA2G4ALMNASMN1; SMN2ALOX15
SCHEMBL3838757 0.79 FGFR1 (0.56) FGFR1PLA2G4ALMNAALDH1A1HDAC1
SCHEMBL30497305 0.78 MTNR1A (0.51) FGFR1PLA2G4ALMNASMN1; SMN2HTT
SCHEMBL29556127 0.78 MEN1 (0.56) FGFR1PLA2G4ALMNASMN1; SMN2MAPT
SCHEMBL26672356 0.78 MEN1 (0.56) FGFR1PLA2G4ALMNASMN1; SMN2MAPT
SCHEMBL29993514 0.77 FGFR1 (0.49) FGFR1PLA2G4ALMNASMN1; SMN2HTT
SCHEMBL30782239 0.77 KDM2B (0.51) FGFR1PLA2G4AHDAC1TBXA2RF2
SCHEMBL31183038 0.77 HCAR3 (0.55) FGFR1PLA2G4ALMNAALDH1A1HDAC1

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
WO-2022117051-A1 MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 北京鞍石生物科技有限责任公司 2022-06-09 — — WO disclosed
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