SCHEMBL7092888

SCHEMBL7092888

CC(=O)Nc1cccc2ccn(C)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ HPGD P15428 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CASP6 P55212 1/20 0.42
▸ MAOA P21397 2/20 0.41
▸ POLB P06746 2/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CCR5 P51681 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ NPC1 O15118 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
SCHEMBL29167964 0.81 UCHL3 (0.41) KDM4EMAPTCCR5MAPK1PTPN11
SCHEMBL28413821 0.74 AKR1C3 (0.42) ALDH1A1MAPTCYP2C19GAAKMT2A
SCHEMBL3597395 0.73 KEAP1 (0.53) HPGDKDM4ECCR5PKMHSD17B10
SCHEMBL30087761 0.73 DYRK1A (0.39) ALDH1A1HPGDKDM4EMAPTMAOA
SCHEMBL28600207 0.73 DYRK1A (0.39) ALDH1A1HPGDKDM4EMAPTMAOA
SCHEMBL21644638 0.72 AKR1C3 (0.44) ALDH1A1KDM4EMAPTPOLBCYP2C19
SCHEMBL19706710 0.70 SMN1; SMN2 (0.52) ALDH1A1HPGDKDM4EMAOAPOLB
SCHEMBL30082300 0.70 NR4A1 (0.46) ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL932002 0.70 NR4A1 (0.46) ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL1093499 0.70 LMNA (0.44) ALDH1A1KDM4EMAPTPOLBHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1325011-A2 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2003-07-09 — — EP disclosed
WO-2002028861-A2 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2002-04-11 — — WO disclosed
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