SCHEMBL23288564

SCHEMBL23288564

CCCCC(CCCC(C)[C@H](CC)c1ccc(C#Cc2ccccc2)cc1)C(=O)Nc1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ NLRP3 Q96P20 1/20 0.47
▸ KLK7 P49862 4/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40

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
SCHEMBL23288541 0.89 KMT2A (0.44) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL23288502 0.79 KMT2A (0.43) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL23288559 0.74 FFAR1 (0.41) KMT2AALDH1A1MEN1MMP2MMP9
SCHEMBL23288563 0.73 ALDH1A1 (0.42) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL23288566 0.72 FFAR1 (0.41) KMT2AALDH1A1MMP2MMP9MMP12
SCHEMBL23288524 0.72 FFAR1 (0.41) KMT2AALDH1A1MAPTNPC1RAB9A
SCHEMBL23288562 0.71 ALDH1A1 (0.46) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL23288525 0.71 ALDH1A1 (0.46) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL7099035 0.70 MEN1 (0.78) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL14565953 0.68 RAB9A (0.60) KMT2AALDH1A1MEN1MAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021081315-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CRYPTOSPORIDIOSIS THE BROAD INSTITUTE, INC. (US) 2021-04-29 — — WO disclosed
Send feedback