SCHEMBL30719404

SCHEMBL30719404

O=c1[nH]ccnc1N1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.53
JAK3 P52333 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
HTT P42858 3/20 0.40
LMNA P02545 2/20 0.40
ALOX15 P16050 2/20 0.40
AKT2 P31751 1/20 0.40
MAP3K5 Q99683 1/20 0.40
MAPT P10636 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
IP6K1 Q92551 3/20 0.39
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL15135220 0.84 HTR2C (0.45) KDM4EALDH1A1
SCHEMBL14858605 0.82 LMNA (0.47) JAK3CYP1A2CYP2C9HTTLMNA
SCHEMBL5237091 0.82 HRH4 (0.47) HTTPOLB
SCHEMBL5233190 0.78 CYP3A4 (0.39) JAK2MAPTKDM4ETSHRALDH1A1
SCHEMBL30719381 0.77 LMNA (0.51) CYP1A2LMNAMAPTKDM4ETSHR
SCHEMBL30719385 0.76 KDM4E (0.43) LMNAMAPTKDM4EALDH1A1POLB
SCHEMBL13404374 0.74 IP6K1 (0.50) IP6K1
SCHEMBL30719403 0.74 PDE10A (0.44)
SCHEMBL311710 0.72 BCHE (0.42) JAK2JAK3CYP1A2CYP2C19HTT
SCHEMBL30719382 0.71 PDE10A (0.39) CYP1A2

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
CN-112513020-B KDM1A inhibitors for the treatment of diseases 伊美格生物科学公司 2024-02-23 CN disclosed