SCHEMBL29118669

SCHEMBL29118669

Cc1cc2ccccc2c(C2CCCCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ NPY5R Q15761 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NCF1 P14598 1/20 0.39
▸ MAT2A P31153 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.38
▸ CHRM4 P08173 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PDE2A O00408 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ ALOX15 P16050 1/20 0.36

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
SCHEMBL29118737 0.98 L3MBTL1 (0.46) TDP1L3MBTL1NPY5RKDM4ELMNA
SCHEMBL26534302 0.91 CYP1A2 (0.40) TDP1L3MBTL1KDM4ELMNARAB9A
SCHEMBL29118677 0.85 NCF1 (0.42) KDM4ELMNANCF1CHRM4KMT2A
SCHEMBL28264907 0.80 TDP1 (0.49) TDP1L3MBTL1NPY5RKDM4ELMNA
SCHEMBL30112542 0.78 CTSK (0.40) TDP1L3MBTL1KDM4ELMNASMN1; SMN2
SCHEMBL25445038 0.74 CTSS (0.40) TDP1L3MBTL1NPY5RKDM4ELMNA
SCHEMBL18943805 0.73 TDP1 (0.65) TDP1L3MBTL1NPY5RKDM4ELMNA
SCHEMBL4237767 0.73 TDP1 (0.46) TDP1L3MBTL1KDM4ESMN1; SMN2CHRNA7
SCHEMBL20623031 0.72 ALDH1A1 (0.51) TDP1L3MBTL1SMN1; SMN2RAB9ANCF1
SCHEMBL29249988 0.72 ALDH1A1 (0.51) TDP1L3MBTL1SMN1; SMN2RAB9ANCF1

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
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
CN-117186003-A Preparation method of isoquinoline derivative 苏州大学 2023-12-08 — — CN disclosed
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