SCHEMBL11903567

SCHEMBL11903567

NCc1ccc(CN2CCN(C(=O)CNC(=O)C(O)CO)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ATM Q13315 1/20 0.43
CA2 P00918 3/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA9 Q16790 2/20 0.43
KDM1A O60341 2/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
RAB9A P51151 1/20 0.42
NCF1 P14598 1/20 0.42
CHKA P35790 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 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
SCHEMBL1668497 0.85 TPSAB1 (0.53) HRH3MEN1KMT2A
Hydrochloric Acid SCHEMBL15861910 0.84 TPSAB1 (0.52) HRH3MEN1KMT2A
SCHEMBL11903544 0.81 CA2 (0.50) POLBALDH1A1HTTSMN1; SMN2ATM
SCHEMBL3917814 0.69 HRH3 (0.49) POLBALDH1A1HTTSMN1; SMN2ATM
SCHEMBL24564964 0.69 PRMT6 (0.69) POLBALDH1A1CA2HRH3NCF1
SCHEMBL12801750 0.68 SIGMAR1 (0.49) ALDH1A1HRH3L3MBTL1MEN1KMT2A
SCHEMBL12466576 0.68 KDM4E (0.65) ALDH1A1CA2CA12CA1CA9
SCHEMBL1669145 0.68 TPSAB1 (0.49) HRH3MEN1KMT2A
SCHEMBL10502128 0.66 POLB (0.70) POLBALDH1A1HTTSMN1; SMN2CA2
SCHEMBL5065800 0.65 CA12 (0.80) POLBALDH1A1HTTSMN1; SMN2ATM

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
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP claimed