SCHEMBL28393000

SCHEMBL28393000

CC1(C)CC(=O)c2cc(C(=O)N3CCN(c4ccc(F)c(Cl)c4)CC3)sc2S1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 3/20 0.45
MMP2 P08253 2/20 0.45
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MMP13 P45452 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
PHGDH O43175 1/20 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
SCHEMBL28394721 0.91 ADAMTS5 (0.43) ADAMTS5MMP2MAPTALDH1A1LMNA
SCHEMBL28401171 0.89 LMNA (0.45) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL28391828 0.87 KMT2A (0.50) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL28400024 0.84 LMNA (0.43) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL28397526 0.83 ALDH1A1 (0.49) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL28396618 0.82 SMN1; SMN2 (0.51) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28391953 0.82 L3MBTL1 (0.53) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL28405211 0.81 ADAMTS5 (0.43) ADAMTS5MAPTALDH1A1LMNAMEN1
SCHEMBL28392352 0.80 TP53 (0.51) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL28394817 0.80 TP53 (0.40) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2

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
CN-108822126-B Thienopyran formyl piperazine compound and medical application thereof 沈阳药科大学 2020-05-15 CN claimed
CN-108822126-B Thienopyran formyl piperazine compound and medical application thereof 沈阳药科大学 2020-05-15 CN disclosed