SCHEMBL31606342

SCHEMBL31606342

CC1Cc2ccccc2N(C(=O)c2cccc(N3CCCCS3(=O)=O)c2)C1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
TP53 P04637 8/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 1/20 0.43
SLC9A3 P48764 1/20 0.43
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL31606337 0.85 AVPR2 (0.49) SMN1; SMN2ALDH1A1MAPTTSHRMEN1
SCHEMBL31606341 0.81 SMN1; SMN2 (0.43) POLBSMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL31606350 0.79 AVPR2 (0.46) POLBSMN1; SMN2ALDH1A1TSHRMEN1
SCHEMBL31606345 0.79 ALDH1A1 (0.43) POLBSMN1; SMN2ALDH1A1TSHRMEN1
SCHEMBL31606343 0.78 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1TSHRMEN1KMT2A
SCHEMBL14584575 0.71 POLB (0.70) POLBTP53SMN1; SMN2ALDH1A1MAPT
SCHEMBL7352202 0.70 AVPR2 (0.56) SMN1; SMN2ALDH1A1TSHRKMT2A
SCHEMBL4397150 0.70 POLB (0.91) POLBTP53SMN1; SMN2ALDH1A1MAPT
SCHEMBL6828696 0.69 TP53 (0.67) POLBTP53SMN1; SMN2ALDH1A1MAPT
SCHEMBL21172644 0.68 NOTUM (0.61) SMN1; SMN2

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