SCHEMBL28816372

SCHEMBL28816372

CCC(=O)N[C]1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
CYP1A2 P05177 1/20 0.50
ALDH1A1 P00352 5/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 2/20 0.43
FLT3 P36888 1/20 0.42
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 2/20 0.41
ATM Q13315 2/20 0.41
PKM P14618 2/20 0.41
LMNA P02545 1/20 0.41
CCR6 P51684 1/20 0.41
MCL1 Q07820 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
ANO1 Q5XXA6 1/20 0.38
POLB P06746 3/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL20243512 0.74 CA1 (0.39) ALDH1A1LMNA
SCHEMBL5257547 0.73 ALDH1A1 (0.40) GAACYP1A2ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1524529 0.73 ALDH1A1 (0.40) GAACYP1A2ALDH1A1RAB9ASMN1; SMN2
SCHEMBL20240793 0.71 KMT2A (0.44) ALDH1A1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL27371945 0.70 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1827489 0.70
SCHEMBL2397844 0.70 TSHR (0.44) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL27502540 0.70 ALDH1A1 (0.47) GAACYP1A2ALDH1A1RAB9ASMN1; SMN2
SCHEMBL10443538 0.69 PEPD (0.34) GAACYP1A2ALDH1A1FLT3MAPT
SCHEMBL27585634 0.67

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-104262328-A Compound for inhibiting kinase activity of BTK and/or JAK3 BEIJING HANMI PHARMACEUTICAL CO LTD 2015-01-07 CN disclosed