SCHEMBL30987352

SCHEMBL30987352

COC(C)(C)Cn1cnc2ccc(S[Na])cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.43
TNF P01375 2/20 0.38
MCL1 Q07820 1/20 0.38
HDAC6 Q9UBN7 2/20 0.37
P2RX3 P56373 4/20 0.36
DDR1 Q08345 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
MMP13 P45452 1/20 0.36

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
SCHEMBL31723379 0.81 MCL1 (0.56) TNFMCL1HDAC6P2RX3DDR1
SCHEMBL12933340 0.68 MCL1 (0.57) MCL1DDR1LMNA
SCHEMBL31723355 0.68 BRAF (0.36) TNF
SCHEMBL31723357 0.68 TNF (0.36) TNFMCL1DDR1LMNA
SCHEMBL30987296 0.67 HSD17B13 (0.41)
SCHEMBL30987319 0.66 MCL1 (0.58) TNFMCL1DDR1LMNA
SCHEMBL12933333 0.65 HDAC6 (0.65) PDE5ATNFHDAC6P2RX3
SCHEMBL13820349 0.64 MCL1 (0.56) TNFMCL1DDR1LMNA
SCHEMBL12160614 0.64 L3MBTL1 (0.56) PDE5A
SCHEMBL18026639 0.64 SMN1; SMN2 (0.58) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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
EP-4647433-A1 SHP2 INHIBITOR AND USES THEREOF Kanaph Therapeutics Inc. (KR) 2025-11-12 EP disclosed
WO-2024147703-A1 SHP2 INHIBITOR AND USES THEREOF 주식회사 카나프테라퓨틱스 2024-07-11 WO disclosed