SCHEMBL10595043

SCHEMBL10595043

O=C(Nc1nnn[nH]1)c1nccnc1N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 5/20 0.41
▸ PIM3 Q86V86 4/20 0.41
▸ PIM2 Q9P1W9 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HCRTR1 O43613 2/20 0.35
▸ HCRTR2 O43614 2/20 0.35
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL13715689 0.77 KDM4E (0.49) ALDH1A1KMT2ACYP3A4L3MBTL1MAPT
SCHEMBL10776251 0.76 KDM4E (0.38) ALDH1A1KMT2AGRM5L3MBTL1MAPT
SCHEMBL10593982 0.76 TDP1 (0.33) ALDH1A1MEN1KMT2AGRM5L3MBTL1
SCHEMBL10622776 0.73 GRM5 (0.35) ALDH1A1GRM5MAPT
SCHEMBL10723897 0.70 HSD11B1 (0.54) PIM1PIM3MAPT
SCHEMBL6440036 0.70 SCN2A (0.37) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL17859394 0.70 HCRTR1 (0.44) PIM1PIM3PIM2ALDH1A1MEN1
SCHEMBL28145053 0.70 SIRT2 (0.43) PIM1PIM3PIM2ALDH1A1MEN1
SCHEMBL10937760 0.69 KIT (0.45) ALDH1A1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL10933803 0.69 GRM1 (0.42) ALDH1A1MEN1KMT2ACYP1A2

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
JP-1031779-A — — None — — JP disclosed
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