SCHEMBL10587534

SCHEMBL10587534

C=C(C[S+]([O-])n1cnc2ccccc21)c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ EGLN3 Q9H6Z9 1/20 0.33
▸ TNF P01375 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ HSF1 Q00613 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ AGER Q15109 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ ADRB2 P07550 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
SCHEMBL630973 0.75 POLB (0.43) POLBTDP1LMNASMN1; SMN2EGLN3
SCHEMBL27561186 0.74 POLB (0.42) POLBTDP1LMNASMN1; SMN2EGLN3
SCHEMBL9560914 0.72 TDP1 (0.46) POLBTDP1LMNASMN1; SMN2TNF
SCHEMBL9460847 0.72 POLB (0.40) POLBTDP1LMNASMN1; SMN2EGLN3
SCHEMBL9236926 0.72 TDP1 (0.42) POLBTDP1LMNASMN1; SMN2TNF
SCHEMBL636638 0.70 CYP11B1 (0.50) TDP1LMNASMN1; SMN2EGLN3TNF
SCHEMBL3335253 0.70 POLB (0.46) POLBTDP1LMNASMN1; SMN2TNF
SCHEMBL1618548 0.69 TDP1 (0.48) POLBTDP1LMNASMN1; SMN2TNF
SCHEMBL15742426 0.69 POLB (0.42) POLBTDP1LMNASMN1; SMN2ALDH1A1
SCHEMBL22475379 0.67 TDP1 (0.46) POLBTDP1LMNASMN1; SMN2TNF

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4820708-A ANTISECRETORY AGENTS; GASTROINTESTINAL DISORDERS SMITH KLINE & FRENCH LABORATORIES (GB) 1989-04-11 — — US disclosed
US-4777172-A ANTIGASTRIC ACID SECRETORY AGENT SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-10-11 — — US disclosed
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