SCHEMBL30577974

SCHEMBL30577974

CON(C)C(=O)c1cccc(C(C)(F)F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.42
HDAC8 Q9BY41 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.36
CTSS P25774 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
MAOB P27338 1/20 0.35
CLK1 P49759 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
KAT6A Q92794 1/20 0.34
EPHX2 P34913 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MAPT P10636 1/20 0.33
CES2 O00748 1/20 0.33

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
SCHEMBL1125455 0.89 HDAC8 (0.49) MLYCDHDAC8GPBAR1TRPM8CTSS
SCHEMBL8575500 0.80 LMNA (0.49) MLYCDGPBAR1MAOBEPHX2SMN1; SMN2
SCHEMBL4026691 0.79 CES2 (0.55) MLYCDTRPM8KAT6ASMN1; SMN2CES2
SCHEMBL29699666 0.79 TAS2R14 (0.46) MLYCDHDAC8GPBAR1CTSSMAOB
SCHEMBL15761208 0.79 TAS2R14 (0.46) MLYCDHDAC8GPBAR1CTSSMAOB
SCHEMBL4027267 0.78 KAT6A (0.41) MLYCDGPBAR1TRPM8KAT6ALPAR5
SCHEMBL21132665 0.77 PDK2 (0.41) HDAC8CTSSTAS1R3TAS1R1TAS1R2
SCHEMBL3688705 0.76 CYP11B1 (0.48) MLYCDTRPM8KAT6ACES2CES1
SCHEMBL2285021 0.76 HPGD (0.40) MLYCDTRPM8MAOBCLK1DYRK1A
SCHEMBL17064947 0.76 ALDH1A1 (0.43) MLYCDTRPM8MAOBCLK1DYRK1A

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
CN-116655625-A Compounds as SOS1 inhibitors and uses thereof 南京圣和药业股份有限公司 2023-08-29 CN disclosed