SCHEMBL8438635

SCHEMBL8438635

Cc1c(OCCN2CCc3ccccc3C2)ccnc1-n1c([S+](C)[O-])nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ ATM Q13315 3/20 0.42
▸ ABCB1 P08183 2/20 0.40
▸ MAPT P10636 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ MAPK1 P28482 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ LMNA P02545 2/20 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
SCHEMBL8522389 0.84 POLB (0.44) POLBMEN1KMT2AATMABCB1
SCHEMBL8668979 0.80 MEN1 (0.36) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL8670315 0.80 MAPT (0.33) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL8438639 0.80 POLB (0.43) POLBMEN1KMT2AATMABCB1
SCHEMBL8438828 0.80 KMT2A (0.41) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL8672636 0.77 SMN1; SMN2 (0.37) POLBMEN1KMT2AMAPTKDM4E
SCHEMBL8442772 0.76 HTR1D (0.41) MEN1KMT2AATMKDM4ESMN1; SMN2
SCHEMBL8436458 0.76 MAPT (0.48) KMT2AABCB1MAPTKDM4EALDH1A1
SCHEMBL8440207 0.75 NPSR1 (0.36) MEN1KMT2AATMMAPTKDM4E
SCHEMBL8522391 0.74 POLB (0.45) POLBMEN1KMT2AATMABCB1

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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