SCHEMBL12987635

SCHEMBL12987635

CCC(C(N)=O)n1cccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.37
LMNA P02545 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
FDPS P14324 1/20 0.35
NOS3 P29474 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
PPARG P37231 3/20 0.33
PPARA Q07869 2/20 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
SCHEMBL10513118 0.84 MEN1 (0.36) NOS1FDPSNOS3TDP1PPARG
SCHEMBL1155636 0.84 PPARG (0.40) FDPSTDP1PPARGPPARA
SCHEMBL27377811 0.82 HDAC1 (0.36) NOS1FDPSNOS3TDP1PPARG
SCHEMBL2754373 0.76 LMNA (0.38) LMNACA12CA1CA2CA3
SCHEMBL27712900 0.76 HDAC8 (0.55) LMNATDP1HDAC8PPARGPPARA
SCHEMBL14743754 0.76 NOS1 (0.39) NOS1LMNAFDPSNOS3
SCHEMBL5521612 0.74 PPARG (0.39) NOS1FDPSTDP1PPARGPPARA
SCHEMBL3752518 0.72 NOS1 (0.36) NOS1FDPS
SCHEMBL2754295 0.71 MAPT (0.44) LMNACA12CA1CA2CA3
SCHEMBL3050045 0.71 CA1 (0.42) LMNACA12CA1CA2CA3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4573086-A1 METHANOGEN INHIBITORS Agrizeronz Limited Partnership (NZ) 2025-06-25 EP disclosed
WO-2024039250-A1 METHANOGEN INHIBITORS PASTORAL GREENHOUSE GAS RESEARCH LIMITED (NZ) 2024-02-22 WO disclosed
EP-2694481-A1 IMIDAZOLE, PYRAZOLE, AND TRIAZOLE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc (US) 2014-02-12 EP disclosed
WO-2012137099-A1 IMIDAZOLE, PYRAZOLE, AND TRIAZOLE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2012-10-11 WO disclosed
CN-1069271-A Preparation [1] chromene is the method for [4,3-c] pyrazole compound also BOOTS CO PLC (GB) 1993-02-24 CN disclosed