SCHEMBL8522389

SCHEMBL8522389

CSc1nc2ccccc2n1-c1nccc(OCCN2CCc3ccccc3C2)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ ATM Q13315 3/20 0.43
▸ MAPT P10636 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ ABCB1 P08183 2/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL8443199 0.86 TDP1 (0.43) POLBMAPTTDP1HRH3SMN1; SMN2
SCHEMBL8439867 0.84 LMNA (0.44) POLBLMNASMN1; SMN2
SCHEMBL8438635 0.84 POLB (0.43) POLBMEN1KMT2AATMMAPT
SCHEMBL8441858 0.81 CYP2D6 (0.44) POLBMAPTKCNH2HRH3CYP2D6
SCHEMBL8442148 0.80 KMT2A (0.44) POLBMEN1KMT2AMAPTKCNH2
SCHEMBL8441415 0.80 LMNA (0.43) KDM4ELMNAKCNH2HRH3SMN1; SMN2
SCHEMBL8672721 0.80 PTGS2 (0.40) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL8522391 0.79 POLB (0.45) POLBMEN1KMT2AATMMAPT
SCHEMBL8551375 0.78 KDM4E (0.39) POLBMEN1KMT2AMAPTKDM4E
SCHEMBL8668966 0.76 SMN1; SMN2 (0.38) KMT2AMAPTKDM4EALDH1A1LMNA

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
US-5916904-A ANTIULCER EISAI CO., LTD. (JP) 1999-06-29 — — US disclosed
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