SCHEMBL10963450

SCHEMBL10963450

CN1CCN(c2cc3c(cc2F)c(=O)ccn3N(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ KDM4E B2RXH2 4/20 0.42
▸ HPGD P15428 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ RAD52 P43351 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4241160 0.80 DRD3 (0.60) KMT2AMEN1LMNAALDH1A1DRD3
SCHEMBL9814052 0.80 KMT2A (0.44) KMT2AMEN1LMNAALDH1A1DRD3
SCHEMBL14585956 0.79 ALDH1A1 (0.48) KMT2AMEN1LMNAALDH1A1DRD3
SCHEMBL10925789 0.75 ALDH1A1 (0.70) KMT2AMEN1LMNAALDH1A1DRD3
SCHEMBL10921678 0.68 ALDH1A1 (0.65) KMT2AMEN1LMNAALDH1A1DRD3
SCHEMBL10385621 0.68 DRD3 (0.44) KMT2AMEN1LMNAALDH1A1DRD3
SCHEMBL6801016 0.67 KMT2A (0.44) KMT2AMEN1LMNAALDH1A1DRD3
SCHEMBL29053157 0.67 HSD17B10 (0.53) KMT2AMEN1LMNAALDH1A1DRD3
SCHEMBL30570719 0.67 HSD17B10 (0.53) KMT2AMEN1LMNAALDH1A1DRD3
SCHEMBL7262142 0.67 HSD17B10 (0.61) KMT2AMEN1LMNAALDH1A1DRD3

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
EP-0090424-B1 NEW QUINOLONE COMPOUNDS AND PREPARATION THEREOF STERLING DRUG INC. (US) 1986-05-28 — — EP claimed
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