SCHEMBL11790805

SCHEMBL11790805

O=C(CCC(=O)N1CC=C(c2ccccc2)CC1)c1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ SIGMAR1 Q99720 6/20 0.62
▸ MAPT P10636 3/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ ALOX15 P16050 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ CASP3 P42574 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ SENP8 Q96LD8 1/20 0.55
▸ SENP7 Q9BQF6 1/20 0.55
▸ SENP6 Q9GZR1 1/20 0.55
▸ HTT P42858 1/20 0.54
▸ PARP1 P09874 1/20 0.54
▸ PARP2 Q9UGN5 1/20 0.54
▸ KDM4E B2RXH2 3/20 0.53
▸ DRD2 P14416 1/20 0.52
▸ USP2 O75604 2/20 0.49

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
SCHEMBL10851211 0.80 MEN1 (0.76) KMT2AMEN1SIGMAR1MAPTSMN1; SMN2
SCHEMBL11809344 0.80 DRD2 (0.79) KMT2AMEN1SIGMAR1MAPTKDM4E
SCHEMBL4074980 0.79 MEN1 (0.65) KMT2AMEN1SIGMAR1MAPTSMN1; SMN2
SCHEMBL12282111 0.78 MEN1 (0.76) KMT2AMEN1SMN1; SMN2ALDH1A1ALOX15
SCHEMBL4072272 0.77 MEN1 (0.84) KMT2AMEN1SIGMAR1MAPTSMN1; SMN2
SCHEMBL13936597 0.76 MEN1 (0.73) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL14224507 0.75 MAPK1 (0.58) KMT2AMEN1SIGMAR1MAPTSMN1; SMN2
SCHEMBL11790812 0.75 ALDH1A1 (0.54) KMT2AMEN1SIGMAR1MAPTSMN1; SMN2
SCHEMBL9581668 0.74 MEN1 (0.71) KMT2AMEN1SIGMAR1MAPTSMN1; SMN2
SCHEMBL27886023 0.74 MEN1 (0.71) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1

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-3936468-A PSYCHOTROPIC SUMITOMO CHEMICAL COMPANY, LTD. (JA) 1976-02-03 — — US disclosed
Send feedback