SCHEMBL8443000

SCHEMBL8443000

Cc1c(OCCN(C)Cc2ccc(Br)cc2)ccnc1-c1nc2ccccc2n1[S+](C)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 2/20 0.37
▸ HTR1B P28222 2/20 0.37
▸ GALR3 O60755 1/20 0.34
▸ NR2F2 P24468 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ GAA P10253 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CYBB P04839 1/20 0.31
▸ NCF1 P14598 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ NPY1R P25929 1/20 0.31

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
SCHEMBL8440209 0.93 HTR1D (0.39) HTR1DHTR1BLMNAHTR6MEN1
SCHEMBL8442774 0.93 HTR1D (0.44) HTR1DHTR1BLMNAGAASMN1; SMN2
SCHEMBL8443545 0.84 GALR3 (0.38) HTR1DHTR1BGALR3NR2F2LMNA
SCHEMBL8442999 0.80 HTR1D (0.35) HTR1DHTR1BGALR3NR2F2LMNA
SCHEMBL7923747 0.80 KDM4E (0.41) LMNASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL8668983 0.79 MEN1 (0.36) LMNASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL8553022 0.79 KDM4E (0.40) LMNAGAASMN1; SMN2MEN1KMT2A
SCHEMBL8439253 0.79 MAPT (0.41) LMNAGAASMN1; SMN2MEN1KMT2A
SCHEMBL8633727 0.78 MAPT (0.41) LMNAGAASMN1; SMN2MEN1KMT2A
SCHEMBL8672637 0.77 SMN1; SMN2 (0.37) LMNAGAASMN1; SMN2KMT2ATP53

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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