SCHEMBL29950652

SCHEMBL29950652

CN(Cc1ccccc1)c1nc(N)nc(Cl)c1C=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 1.00
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAT2A P31153 1/20 0.42
CSF1R P07333 3/20 0.41
DHFR P00374 1/20 0.41
PDE5A O76074 1/20 0.40
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
RPS6KB1 P23443 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
FFAR2 O15552 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL18485898 0.70 RAB9A (0.54) RAB9ASMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL15330712 0.70 MAPT (0.54) RAB9ASMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL795874 0.70 SMN1; SMN2 (0.58) RAB9ASMN1; SMN2LMNAALDH1A1DHFR
SCHEMBL8566977 0.70 RAB9A (0.53) RAB9ASMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL14869399 0.70 SMN1; SMN2 (0.58) RAB9ASMN1; SMN2LMNAALDH1A1DHFR
SCHEMBL18072476 0.69 NUDT1 (0.57) RAB9ASMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL21639536 0.69 RAB9A (0.52) RAB9ASMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL25691021 0.69 ALDH1A1 (0.59) RAB9ASMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL6261269 0.67 RAB9A (0.50) RAB9ASMN1; SMN2LMNAALDH1A1PDE4A
SCHEMBL12227598 0.67 RAB9A (0.50) RAB9ASMN1; SMN2LMNAALDH1A1CSF1R

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed