SCHEMBL24671567

SCHEMBL24671567

N=C(N)N1CC=C(c2ccc(C(=O)Nc3ccc(N4CCN(C(=N)N)CC4)c(C(F)(F)F)c3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TMPRSS2 O15393 4/20 0.45
CYP2C9 P11712 1/20 0.44
NPY2R P49146 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43

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
SCHEMBL24671336 0.86 TMPRSS2 (0.52) TP53MAPTSMN1; SMN2TMPRSS2CYP2C9
SCHEMBL24670304 0.84 NAMPT (0.51) TP53MAPTTHRBSMN1; SMN2CYP2C9
SCHEMBL24671463 0.84 TMPRSS2 (0.49) TP53MAPTTHRBSMN1; SMN2TMPRSS2
SCHEMBL24671380 0.82 MAPT (0.53) TP53MAPTSMN1; SMN2TMPRSS2CYP2C9
SCHEMBL24667821 0.81 TMPRSS2 (0.54) MAPTSMN1; SMN2TMPRSS2
SCHEMBL24669609 0.79 TMPRSS2 (0.45) MAPTTMPRSS2NPY2R
SCHEMBL24671018 0.79 SMN1; SMN2 (0.43) MAPTSMN1; SMN2TMPRSS2NPY2R
SCHEMBL24670255 0.79 TMPRSS2 (0.45) MAPTTMPRSS2NPY2R
SCHEMBL29802911 0.78 TMPRSS2 (0.41) MAPTSMN1; SMN2TMPRSS2NPY2RTAAR1
SCHEMBL24671240 0.78 TMPRSS2 (0.46) TMPRSS2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 WO claimed
WO-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 WO disclosed
WO-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 WO disclosed