SCHEMBL9514848

SCHEMBL9514848

Cc1nccc(N2CCN(C(=O)c3cccnc3)CC2)n1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
KDM4E B2RXH2 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
MAPT P10636 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 1/20 0.53
PKM P14618 1/20 0.52
FABP6 P51161 1/20 0.52
POLB P06746 1/20 0.51
HTT P42858 1/20 0.49
MYC P01106 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL9513674 0.87 KDM4E (0.59) ALDH1A1KDM4ESMN1; SMN2MAPK1PKM
SCHEMBL1108658 0.81 KDM4E (0.62) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL11078057 0.81 SLC6A7 (0.70) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL9763711 0.80 PKM (0.74) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL9731153 0.80 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
Hydrochloric Acid SCHEMBL1596692 0.78 PKM (0.72) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL13149233 0.78 KDM4E (0.71) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL14276896 0.77 MAP4K4 (0.51) ALDH1A1GAA
SCHEMBL12225719 0.76 MAPK1 (0.69) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL14590536 0.76 MAPK1 (0.69) ALDH1A1MAPTMEN1KMT2AMAPK1

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-0384370-B1 Substituted pyrimidine derivatives, process for their preparation, and their use as tool HOECHST AG (DE) 1993-11-03 EP disclosed
US-5138058-A Diabetic screening HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-11 US disclosed
EP-0384370-A1 Substituted pyrimidine derivatives, process for their preparation, and their use as tool HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-29 EP disclosed