SCHEMBL23924994

SCHEMBL23924994

Cc1nc2ccccc2nc1Nc1cc(C(F)(F)F)ccc1N1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
TSHR P16473 5/20 0.52
CYP1A2 P05177 4/20 0.52
HPGD P15428 3/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 2/20 0.52
HSD17B10 Q99714 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
LMNA P02545 2/20 0.52
TP53 P04637 2/20 0.52
USP2 O75604 1/20 0.52
MAPK1 P28482 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52
KDR P35968 1/20 0.47
SRPK2 P78362 1/20 0.47

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
SCHEMBL23925028 0.90 TSHR (0.51) MAPTTSHRCYP1A2HPGDALDH1A1
SCHEMBL23924951 0.89 ALDH1A1 (0.65) MAPTTSHRCYP1A2HPGDALDH1A1
SCHEMBL23925024 0.80 KDR (0.47) MAPTTSHRCYP1A2HPGDALDH1A1
SCHEMBL23925095 0.79 MAPT (0.47) MAPTTSHRCYP1A2HPGDALDH1A1
SCHEMBL19002325 0.72 MAPT (0.63) MAPTTSHRCYP1A2HPGDALDH1A1
SCHEMBL23925270 0.72 MET (0.51) MAPTTSHRCYP1A2HPGDALDH1A1
SCHEMBL13997372 0.70 ALDH1A1 (0.54) MAPTTSHRCYP1A2HPGDALDH1A1
SCHEMBL19002337 0.70 MAPT (0.60) MAPTTSHRCYP1A2HPGDALDH1A1
SCHEMBL23924840 0.70 ALDH1A1 (0.57) MAPTTSHRCYP1A2HPGDALDH1A1
SCHEMBL8274190 0.70 MAPT (0.70) MAPTTSHRCYP1A2HPGDALDH1A1

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