SCHEMBL4755113

SCHEMBL4755113

Cc1oncc1NC(=O)CC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
NPC1 O15118 4/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TAS2R8 Q9NYW2 1/20 0.47
KMT2A Q03164 3/20 0.46
EPHX2 P34913 3/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 2/20 0.45
AAK1 Q2M2I8 2/20 0.45
LMNA P02545 1/20 0.45
CSF1R P07333 1/20 0.45
ALPL P05186 1/20 0.44
POLB P06746 1/20 0.44
P2RX7 Q99572 2/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL1447405 0.75 LMNA (0.48) RAB9ANPC1GAASMN1; SMN2TAS2R8
SCHEMBL4060937 0.72 CSF1R (0.58) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL27534146 0.71 CSF1R (0.47) RAB9ANPC1SMN1; SMN2TAS2R8KMT2A
SCHEMBL27534143 0.71 CSF1R (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL7159830 0.71 P2RX7 (0.74) RAB9ANPC1SMN1; SMN2KMT2AEPHX2
Hydrochloric Acid SCHEMBL1447733 0.70 AOC1 (0.40) KMT2AKDM4EALDH1A1MEN1LMNA
SCHEMBL27909949 0.70 NPC1 (0.59) RAB9ANPC1GAASMN1; SMN2KMT2A
SCHEMBL22862326 0.70 EPHX2 (0.54) RAB9ANPC1SMN1; SMN2KMT2AEPHX2
SCHEMBL17532581 0.69 EPHX2 (0.57) RAB9ANPC1SMN1; SMN2KMT2AEPHX2
SCHEMBL5273437 0.68 KDM4E (0.44) RAB9ANPC1GAASMN1; SMN2KMT2A

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
EP-1912974-A1 IMIDAZOLYL-PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2008-04-23 EP disclosed
WO-2007015064-A1 IMIDAZOLYL-PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2007-02-08 WO disclosed