SCHEMBL9684170

SCHEMBL9684170

c1ccc(Sc2c(CN3CCOCC3)[nH]c3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 3/20 0.47
DRD2 P14416 3/20 0.45
DRD4 P21917 3/20 0.45
DRD3 P35462 3/20 0.45
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALOX15 P16050 2/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 2/20 0.42
PARP1 P09874 1/20 0.42
MYC P01106 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40

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
SCHEMBL9685065 0.88 MEN1 (0.54) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL8523338 0.75 ALDH1A1 (0.54) MEN1KMT2AALDH1A1DRD2DRD4
SCHEMBL3835784 0.74 ACHE (0.43) MEN1KMT2AALDH1A1DRD2DRD4
SCHEMBL8938377 0.73 MEN1 (0.62) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL8938380 0.72 MEN1 (0.61) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL1616330 0.70 JAK2 (0.49) ALDH1A1LMNASMN1; SMN2L3MBTL1ALOX15
SCHEMBL28455949 0.70 MEN1 (0.58) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL31025920 0.68 HSD17B10 (0.70) MEN1KMT2AALDH1A1DRD2DRD4
SCHEMBL18886833 0.68 HSD17B10 (0.70) MEN1KMT2AALDH1A1DRD2DRD4
SCHEMBL8938441 0.67 MEN1 (0.54) MEN1KMT2AALDH1A1LMNASMN1; SMN2

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-5124327-A Administering in the prevention and treatment of AIDS MERCK & CO., INC. (US) 1992-06-23 US disclosed