SCHEMBL30577968

SCHEMBL30577968

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.36
MRGPRX4 Q96LA9 7/20 0.36
MLYCD O95822 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
KAT6A Q92794 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33
RIPK1 Q13546 1/20 0.33
HMGB1 P09429 1/20 0.33
TSHR P16473 1/20 0.32
BCHE P06276 2/20 0.32
ACHE P22303 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32

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
SCHEMBL4033763 0.84 TRPM8 (0.36) TRPM8MRGPRX4MLYCDALDH1A1LMNA
SCHEMBL4026691 0.78 CES2 (0.55) TRPM8MLYCDALDH1A1KAT6ARIPK1
SCHEMBL4027267 0.76 KAT6A (0.41) TRPM8MLYCDALDH1A1KAT6ALPAR5
SCHEMBL2285021 0.75 HPGD (0.40) TRPM8MLYCDALDH1A1LMNAKAT6A
SCHEMBL17064947 0.75 ALDH1A1 (0.43) TRPM8MLYCDALDH1A1LPAR5BCHE
SCHEMBL4804041 0.75 KAT6A (0.47) ALDH1A1LMNAKAT6ALPAR5
SCHEMBL3688705 0.75 CYP11B1 (0.48) TRPM8MLYCDKAT6ATSHRCES2
SCHEMBL13806872 0.74 ALDH1A1 (0.42) ALDH1A1LMNATSHR
SCHEMBL4610471 0.73 LMNA (0.46) TRPM8ALDH1A1LMNATSHRBCHE
SCHEMBL1125455 0.73 HDAC8 (0.49) TRPM8MLYCDLMNAKAT6A

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