SCHEMBL24893418

SCHEMBL24893418

CCC(=O)Nc1ccc(C#Cc2ccc(N3CCOCC3)cc2)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.47
ACACB O00763 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TERT O14746 1/20 0.46
POLB P06746 1/20 0.45
ALB P02768 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
JAK3 P52333 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 1/20 0.41
SERPINE1 P05121 1/20 0.41

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
SCHEMBL24893376 0.90 HTT (0.55) RAB9AMEN1KMT2APOLBHTT
SCHEMBL24893374 0.90 MEN1 (0.43) RAB9AACACBMEN1KMT2ATERT
SCHEMBL24893398 0.90 TERT (0.46) RAB9AACACBMEN1KMT2ATERT
SCHEMBL24893399 0.89 NPC1 (0.43) RAB9AMEN1KMT2AHTTALDH1A1
SCHEMBL24893377 0.88 HTT (0.42) MEN1KMT2AHTTMAPTALDH1A1
SCHEMBL24893375 0.87 KDM4E (0.44) MEN1KMT2ATERTPOLBHTT
SCHEMBL24893409 0.87 ACACB (0.50) ACACBPOLBALBHTTALDH1A1
SCHEMBL24893407 0.86 MMP13 (0.46) RAB9AHTTSMN1; SMN2
SCHEMBL24901281 0.85 ACACB (0.48) RAB9AACACBMEN1KMT2ATERT
SCHEMBL24893373 0.85 TERT (0.46) RAB9AACACBMEN1KMT2ATERT

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-2023285371-A1 DHODH INHIBITORS AND THEIR USE AS ANTIVIRAL AGENTS UNIVERSITÄT HAMBURG (DE) 2023-01-19 WO disclosed
EP-4119138-A1 DHODH INHIBITORS AND THEIR USE AS ANTIVIRAL AGENTS Universität Hamburg (DE) 2023-01-18 EP disclosed