SCHEMBL9817424

SCHEMBL9817424

N=C(N)Nc1nc(CSCCC(N)=O)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 3/20 0.40
SLC22A2 O15244 2/20 0.40
CA12 O43570 2/20 0.40
SLC22A3 O75751 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
MAOA P21397 2/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CA5A P35218 2/20 0.40
CA7 P43166 2/20 0.40
BLM P54132 2/20 0.40
PMP22 Q01453 2/20 0.40
POU5F1 Q01860 2/20 0.40
CA9 Q16790 2/20 0.40
SLC47A2 Q86VL8 2/20 0.40
CA13 Q8N1Q1 2/20 0.40
SLC47A1 Q96FL8 2/20 0.40

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
SCHEMBL10587291 0.89 HRH2 (0.39) HRH2SLC22A2CA12SLC22A3CA1
SCHEMBL11250612 0.89 PDE5A (0.44) HRH2SLC22A2CA12SLC22A3CA1
SCHEMBL10743849 0.89 CDK5 (0.40) HRH2SLC22A2CA12SLC22A3CA1
Hydrochloric Acid SCHEMBL10439042 0.88 HRH2 (0.39) HRH2SLC22A2CA12SLC22A3CA1
Hydrochloric Acid SCHEMBL11236238 0.88 HRH2 (0.39) HRH2SLC22A2CA12SLC22A3CA1
SCHEMBL11246481 0.88 SLC22A2 (0.38) HRH2SLC22A2CA12SLC22A3CA1
SCHEMBL10744734 0.88 ABL1 (0.42) HRH2SLC22A2CA12SLC22A3CA1
Hydrochloric Acid SCHEMBL11237444 0.87 AOC3 (0.39) HRH2SLC22A2CA12SLC22A3CA1
Hydrochloric Acid SCHEMBL11249076 0.87 SLC22A2 (0.37) HRH2SLC22A2CA12SLC22A3CA1
Hydrochloric Acid SCHEMBL10586317 0.86 HRH2 (0.37) HRH2SLC22A2CA12SLC22A3CA1

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
EP-0297019-B1 FAMOTIDINE POLYMORPHIC FORM AND PREPARATION THEREOF CENTRO MARGA PARA LA INVESTIGACION S.A. (ES) 1991-10-30 EP disclosed
US-4362736-A ANTISECRETORY AGENTS, GASTRIC JUICE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1982-12-07 US disclosed