SCHEMBL28235926

SCHEMBL28235926

O=C(NNC1CCCCC1)c1ccc(-n2ccnc2)o1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 7/20 0.47
▸ HPGD P15428 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CSF1R P07333 1/20 0.39
▸ PDE5A O76074 2/20 0.38
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL28235922 0.68 L3MBTL1 (0.59) ALDH1A1CSF1RLMNAL3MBTL1
SCHEMBL28242755 0.67 NPC1 (0.59) CD38SMN1; SMN2ALDH1A1TSHRLMNA
SCHEMBL2984435 0.67 L3MBTL1 (0.70) HPGDSMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL2998695 0.67 L3MBTL1 (0.70) HPGDSMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL26401026 0.67 KMT2A (0.71) CD38HPGDSMN1; SMN2TSHRHTR2A
SCHEMBL2998723 0.65 L3MBTL1 (0.68) HPGDSMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL28235923 0.65 HPGD (0.72) HPGDSMN1; SMN2ALDH1A1TSHRLMNA
SCHEMBL8808479 0.64 HRH3 (0.54) ALDH1A1HTR2AHTR2CHTR2BHRH3
SCHEMBL25135727 0.64 CD38 (0.61) CD38HPGDALDH1A1L3MBTL1
SCHEMBL30040534 0.64 CD38 (1.00) CD38

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108586439-A A kind of Raf kinase and its application in treatment of cancer 刘思良 2018-09-28 — — CN disclosed
CN-108484587-A A kind of Raf kinase and its application in treatment of cancer 刘思良 2018-09-04 — — CN disclosed
CN-108456186-A A kind of Raf kinase and its application in treatment of cancer 刘思良 2018-08-28 — — CN disclosed
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