SCHEMBL31606337

SCHEMBL31606337

CC1Cc2ccccc2N(C(=O)c2cccc(N3CCCC3)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.49
ALDH1A1 P00352 6/20 0.49
GAA P10253 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
MAPT P10636 3/20 0.45
LMNA P02545 3/20 0.45
MAPK1 P28482 2/20 0.45
SLC12A2 P55011 1/20 0.45
SLC12A5 Q9H2X9 1/20 0.45
HTT P42858 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CACNA1H O95180 1/20 0.42

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
SCHEMBL31606342 0.85 POLB (0.57) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL31606350 0.85 AVPR2 (0.46) AVPR2ALDH1A1GAAMEN1KMT2A
SCHEMBL31606343 0.84 ALDH1A1 (0.55) ALDH1A1GAAMEN1KMT2AHPGD
SCHEMBL31402310 0.81 KMT2A (0.53) ALDH1A1GAAMEN1KMT2AHPGD
SCHEMBL31606341 0.78 SMN1; SMN2 (0.43) ALDH1A1GAAMEN1KMT2AHPGD
SCHEMBL31606345 0.78 ALDH1A1 (0.43) ALDH1A1GAAMEN1KMT2AHPGD
SCHEMBL7352202 0.75 AVPR2 (0.56) AVPR2ALDH1A1KMT2AHPGDSMN1; SMN2
SCHEMBL21173242 0.73 S100B (0.42) AVPR2ALDH1A1GAAMEN1KMT2A
SCHEMBL21172497 0.72 NOTUM (0.61) SMN1; SMN2LMNA
SCHEMBL21172644 0.72 NOTUM (0.61) SMN1; SMN2LMNA

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-2025111184-A1 SUBSTITUTED TETRAHYDROQUINOLINE AND TETRAHYDROQUINOXALINE HERBICIDES FMC CORPORATION (US) 2025-05-30 WO claimed
WO-2025111184-A1 SUBSTITUTED TETRAHYDROQUINOLINE AND TETRAHYDROQUINOXALINE HERBICIDES FMC CORPORATION (US) 2025-05-30 WO disclosed