SCHEMBL30061220

SCHEMBL30061220

c1cc(C2CCCN2c2nccs2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPT P10636 6/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ SCN9A Q15858 7/20 0.38
▸ NUDT1 P36639 1/20 0.38
▸ POLB P06746 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
SCHEMBL3004757 0.84 L3MBTL1 (0.55) L3MBTL1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL15160536 0.73 ALDH1A1 (0.44) L3MBTL1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL19273236 0.70 MAPT (0.38) L3MBTL1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL9031375 0.70 ADORA2A (0.54) L3MBTL1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL12862571 0.70 HRH3 (0.41) L3MBTL1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL9031368 0.70 ADORA2A (0.54) L3MBTL1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL3528891 0.70 ADORA2A (0.40) L3MBTL1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL19540314 0.69 HPGD (0.50) L3MBTL1MAPTALDH1A1POLB
SCHEMBL1155938 0.69 SMN1; SMN2 (0.47) L3MBTL1MAPTKDM4EALDH1A1POLB
SCHEMBL3433947 0.69 SMN1; SMN2 (0.47) L3MBTL1MAPTKDM4EALDH1A1POLB

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
EP-4076660-A1 USES OF ANTI-TGF-BETA ANTIBODIES AND CHECKPOINT INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2022-10-26 — — EP disclosed
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