SCHEMBL24327424

SCHEMBL24327424

Cc1cc(C)cc(NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C(N)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.48
GCGR P47871 2/20 0.42
GIPR P48546 2/20 0.42
GRIN2B Q13224 1/20 0.41
LSS P48449 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PHGDH O43175 2/20 0.39
KCNH2 Q12809 1/20 0.39
MAPT P10636 1/20 0.39
KIF11 P52732 1/20 0.39
NR3C2 P08235 1/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL24327446 0.89 MTOR (0.48) MTORGCGRGIPRLMNAMAPT
SCHEMBL24328772 0.87 MTOR (0.58) MTORNPC1LMNARAB9AALDH1A1
SCHEMBL24327422 0.83 TP53 (0.56) MTORLMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL24327551 0.81 MTOR (0.68) MTORNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL24327548 0.80 MTOR (0.53) MTORLMNAALDH1A1
SCHEMBL24328826 0.77 CYP1A2 (0.41) NPC1LMNARAB9ASMN1; SMN2MAPT
SCHEMBL24327550 0.76 DCUN1D1 (0.60) LMNARAB9ASMN1; SMN2MAPTTP53
SCHEMBL24328063 0.73 NPC1 (0.52) NPC1LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL24327968 0.68 ALDH1A1 (0.65) MTORNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL31356653 0.67 MAPT (0.57) LMNAALDH1A1MAPTKIF11

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-2022081984-A1 METHODS AND COMPOUNDS TO TREAT SARS INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-21 WO disclosed