SCHEMBL9730560

SCHEMBL9730560

Cc1cc(N2CCN(C(=O)c3ccccc3)CC2)ncn1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.62
KDM4E B2RXH2 2/20 0.59
HPGD P15428 1/20 0.55
MEN1 O00255 1/20 0.54
P2RY12 Q9H244 1/20 0.54
HTT P42858 2/20 0.53
POLB P06746 1/20 0.53
CKS1B P61024 1/20 0.53
SKP1 P63208 1/20 0.53
SKP2 Q13309 1/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
SLC6A7 Q99884 2/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
DPP4 P27487 1/20 0.50

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
SCHEMBL9731153 0.86 ALDH1A1 (0.57) KDM4EHPGDMEN1HTTPOLB
SCHEMBL18362065 0.81 LOXL2 (0.67) GBA1KDM4EMEN1P2RY12CKS1B
SCHEMBL18362066 0.81 MEN1 (0.50) GBA1KDM4EMEN1CKS1BSKP1
SCHEMBL12051485 0.80 GBA1 (0.57) GBA1KDM4ECKS1BSKP1SKP2
Hydrochloric Acid SCHEMBL20337903 0.80 LOXL2 (0.65) GBA1KDM4EMEN1P2RY12CKS1B
SCHEMBL13115595 0.77 KDM4E (0.67) GBA1KDM4EHPGDMEN1HTT
SCHEMBL9513674 0.76 KDM4E (0.59) GBA1KDM4EHPGDCKS1BSKP1
SCHEMBL12082726 0.74 KDM4E (1.00) KDM4EHPGDMEN1HTTPOLB
SCHEMBL252026 0.73 HPGD (0.79) KDM4EHPGDMEN1POLBALDH1A1
SCHEMBL7129676 0.73 HPGD (0.79) KDM4EHPGDMEN1POLBALDH1A1

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
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