SCHEMBL25921491

SCHEMBL25921491

CC(=O)Oc1ccc(CSc2nc(=O)cc[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ CTSB P07858 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2E1 P05181 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C8 P10632 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2B6 P20813 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ FABP3 P05413 1/20 0.38
▸ FABP4 P15090 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GPR84 Q9NQS5 1/20 0.38
▸ RAB9A P51151 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ POLB P06746 2/20 0.37

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
SCHEMBL3538058 0.78 MAOB (0.51) LMNACTSBSMN1; SMN2ALDH1A1RAB9A
SCHEMBL25921416 0.74 MAPT (0.46) LMNAMMP13SMN1; SMN2FABP3FABP4
SCHEMBL6241382 0.73 LMNA (0.38) LMNAMMP13CTSBCYP1A2CYP2E1
SCHEMBL26068379 0.71 LMNA (0.43) LMNAMMP13CTSBCYP1A2CYP2E1
SCHEMBL6031811 0.70 LMNA (0.55) LMNACYP3A4SMN1; SMN2ALDH1A1RAB9A
SCHEMBL25921419 0.70 PTGDR2 (0.44) SMN1; SMN2ALDH1A1KMT2APOLBMAPT
SCHEMBL25921524 0.70 PLA2G7 (0.39) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6243612 0.69 MAPT (0.41) LMNASMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL25921941 0.69 PLA2G7 (0.42) SMN1; SMN2ALDH1A1RAB9AKMT2APOLB
SCHEMBL14139588 0.69 LMNA (0.53) LMNACYP3A4SMN1; SMN2ALDH1A1RAB9A

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
WO-2023140040-A1 AMIDITE MONOMER 国立大学法人東海国立大学機構 2023-07-27 — — WO disclosed
Send feedback