SCHEMBL9515064

SCHEMBL9515064

O=[N+]([O-])c1ccc(C(O)CN2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.74
POLB P06746 2/20 0.60
HTR1A P08908 2/20 0.58
SPHK1 Q9NYA1 1/20 0.53
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.50
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL297782 0.85 IGF1R (0.73) IGF1RHTR1AKMT2AMEN1TDP1
SCHEMBL11726331 0.85 IGF1R (0.73) IGF1RHTR1AKMT2AMEN1TDP1
SCHEMBL27959969 0.85 IGF1R (1.00) IGF1RHTR1AKMT2AMEN1TDP1
SCHEMBL9513747 0.81 KMT2A (0.53) IGF1RHTR1ASPHK1KMT2AMEN1
SCHEMBL9513530 0.81 KMT2A (0.58) IGF1RHTR1ASPHK1KMT2AMEN1
SCHEMBL3439980 0.80 POLB (0.73) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL1353999 0.79 IGF1R (0.64) IGF1RHTR1AKMT2AMEN1TDP1
SCHEMBL9514826 0.78 POLB (0.90) POLBALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL10580775 0.78 SPHK1 (0.55) IGF1RHTR1ASPHK1KMT2AMEN1
SCHEMBL519460 0.77 IGF1R (0.65) IGF1RPOLBHTR1ATDP1ALDH1A1

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