SCHEMBL9513748

SCHEMBL9513748

CS(=O)(=O)Nc1ccc(CN2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.51
POLB P06746 2/20 0.50
JAK3 P52333 3/20 0.49
KCNH2 Q12809 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
TNIK Q9UKE5 1/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
GRIN1 Q05586 1/20 0.45

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
SCHEMBL9514747 0.88 HTR1A (0.58) KCNH2SMN1; SMN2LMNAGRIN1GRIN2B
SCHEMBL10680323 0.86 JAK2 (0.50) JAK2JAK3KCNH2SMN1; SMN2ADRB2
SCHEMBL8781020 0.84 DRD4 (0.60) POLBADRB2ADRB1ADRB3ALDH1A1
SCHEMBL9513736 0.81 POLB (0.49) POLBKCNH2SMN1; SMN2MEN1KMT2A
SCHEMBL9224925 0.80 ADRB2 (0.42) JAK2POLBKCNH2SMN1; SMN2MEN1
SCHEMBL6375438 0.80 SPHK1 (0.60) KCNH2MEN1KMT2AADRB2ADRB1
SCHEMBL9224917 0.80 ADRB2 (0.42) JAK2POLBKCNH2SMN1; SMN2MEN1
SCHEMBL10577329 0.79 KMT2A (0.53) MEN1KMT2AHTR1A
SCHEMBL9224604 0.78 SPHK1 (0.51) KCNH2MEN1KMT2AADRB2ADRB1
SCHEMBL23964263 0.78 DRD2 (0.47) KCNH2SMN1; SMN2LMNACYP2D6GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0233051-B1 ANTIARRHYTHMIC AGENTS Pfizer Limited (GB) 1993-09-15 EP disclosed
US-4806536-A Piperazinyl-substituted pyridine and imidazole anti-arrhythmic agents PFIZER, INC. (US) 1989-02-21 US disclosed
EP-0233051-A2 Antiarrhythmic Agents Pfizer Limited (GB) 1987-08-19 EP disclosed