SCHEMBL8443545

SCHEMBL8443545

CSn1c(-c2nccc(OCCN(C)Cc3ccc(Br)cc3)c2C)nc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GALR3 O60755 1/20 0.38
▸ NR2F2 P24468 1/20 0.38
▸ HTR1D P28221 1/20 0.36
▸ HTR1B P28222 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ CYBB P04839 1/20 0.32
▸ NCF1 P14598 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL8440547 0.93 NPSR1 (0.38) HTR1DHTR1BLMNAHTR6MEN1
SCHEMBL8439251 0.91 KDM4E (0.39) GALR3NR2F2HTR1DHTR1BLMNA
SCHEMBL8443000 0.84 HTR1D (0.37) GALR3NR2F2HTR1DHTR1BLMNA
SCHEMBL8441758 0.82 DRD3 (0.37) MEN1KMT2APOLB
SCHEMBL8443544 0.80 HTR1D (0.36) GALR3NR2F2HTR1DHTR1BLMNA
SCHEMBL8550349 0.79 KDM4E (0.42) LMNASMN1; SMN2MEN1KMT2ATSHR
SCHEMBL8672723 0.79 MEN1 (0.38) LMNASMN1; SMN2MEN1KMT2ATSHR
SCHEMBL8443200 0.78 KMT2A (0.42) LMNAGAASMN1; SMN2MEN1KMT2A
SCHEMBL8669339 0.78 MEN1 (0.39) LMNASMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL8380821 0.78 PTAFR (0.33) LMNASMN1; SMN2MEN1KMT2ATP53

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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