SCHEMBL23924951

SCHEMBL23924951

Cc1nc2ccccc2nc1Nc1cc(C(F)(F)F)ccc1N1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
LMNA P02545 5/20 0.65
KDM4E B2RXH2 4/20 0.65
TSHR P16473 4/20 0.65
MAPT P10636 3/20 0.65
HPGD P15428 2/20 0.65
HSD17B10 Q99714 2/20 0.65
MEN1 O00255 2/20 0.65
TP53 P04637 2/20 0.65
MAPK1 P28482 2/20 0.65
KMT2A Q03164 2/20 0.65
USP2 O75604 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
GPR55 Q9Y2T6 1/20 0.65
SMN1; SMN2 Q16637 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51

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
SCHEMBL23924994 0.89 MAPT (0.52) ALDH1A1LMNAKDM4ETSHRMAPT
SCHEMBL23925028 0.88 TSHR (0.51) ALDH1A1LMNAKDM4ETSHRMAPT
SCHEMBL23924840 0.81 ALDH1A1 (0.57) ALDH1A1LMNAKDM4ETSHRMAPT
SCHEMBL13006748 0.75 ALDH1A1 (0.70) ALDH1A1LMNAKDM4ETSHRHSD17B10
SCHEMBL3768370 0.74 LMNA (0.48) ALDH1A1LMNAKDM4ETSHRMAPT
SCHEMBL22169111 0.72 ALDH1A1 (0.64) ALDH1A1LMNAKDM4ETSHRMAPT
SCHEMBL10104444 0.72 ALDH1A1 (0.69) ALDH1A1LMNAKDM4ETSHRSMN1; SMN2
SCHEMBL20357282 0.71 ALDH1A1 (0.79) ALDH1A1LMNAKDM4ETSHRHSD17B10
SCHEMBL23925095 0.70 MAPT (0.47) ALDH1A1LMNAKDM4ETSHRMAPT
SCHEMBL23925270 0.70 MET (0.51) ALDH1A1LMNAKDM4ETSHRMAPT

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
WO-2021209490-A1 CYCLAMINEPHENYLAMINOQUINOLINES AS FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-10-21 WO claimed
WO-2021209490-A1 CYCLAMINEPHENYLAMINOQUINOLINES AS FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-10-21 WO disclosed