SCHEMBL31364014

SCHEMBL31364014

Clc1cnc(C2CCCCC2)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
PLAU P00749 1/20 0.39
TLR7 Q9NYK1 1/20 0.37
AURKA O14965 3/20 0.36
JAK2 O60674 3/20 0.36
PRKCA P17252 3/20 0.36
JAK1 P23458 3/20 0.36
TYK2 P29597 3/20 0.36
KDR P35968 3/20 0.36
FLT3 P36888 3/20 0.36
LCK P06239 1/20 0.36
CYP11B2 P19099 1/20 0.36
ADORA3 P0DMS8 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
OPRL1 P41146 1/20 0.35

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
SCHEMBL30735835 0.83 SLC18A3 (0.42) KDM4EALDH1A1POLBPLAUTLR7
SCHEMBL19297028 0.83 SLC18A3 (0.42) KDM4EALDH1A1POLBPLAUTLR7
SCHEMBL31364097 0.80 OPRL1 (0.42) TDP1L3MBTL1AURKAJAK2PRKCA
SCHEMBL11254155 0.80 OPRL1 (0.42) TDP1L3MBTL1AURKAJAK2PRKCA
SCHEMBL31364074 0.79 TDP1 (0.43) TDP1L3MBTL1POLBPLAUTLR7
SCHEMBL31364011 0.78 TDP1 (0.53) TDP1L3MBTL1ALDH1A1POLBTLR7
SCHEMBL29249933 0.76 ELANE (0.41) TDP1L3MBTL1TLR7
SCHEMBL8556734 0.74 MEN1 (0.49) TDP1L3MBTL1KDM4EALDH1A1HTT
SCHEMBL10356217 0.70 ALDH1A1 (0.51) TDP1L3MBTL1ALDH1A1PLAUCYP1A2
SCHEMBL22808949 0.70 L3MBTL1 (0.55) TDP1L3MBTL1TLR7HTTATM

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-119638622-A Photocatalytic alkane C (sp)3) Method for activating H bond and constructing C-C bond with aza arene 中国科学院理化技术研究所 2025-03-18 CN disclosed