SCHEMBL24670840

SCHEMBL24670840

O=C(Nc1ccc(N2CCNCC2)c(C(F)(F)F)c1)c1ccc(C2=CCNCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP2C9 P11712 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CSF1R P07333 2/20 0.46
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
SCHEMBL24670862 0.87 MAPT (0.46) MAPTTP53THRBSMN1; SMN2CYP2C9
Trifluoroacetic Acid SCHEMBL29803769 0.85 SLC2A1 (0.44) MAPTMEN1KMT2A
SCHEMBL29803377 0.85 NPC1 (0.46) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL29803254 0.83 QDPR (0.46) MAPTTP53THRBSMN1; SMN2MEN1
SCHEMBL24671331 0.80 NAMPT (0.51) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL24670573 0.77 MAPKAPK2 (0.59)
SCHEMBL29803242 0.77 MAPKAPK2 (0.47) MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL24670910 0.77 MAPKAPK2 (0.47) MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL29803687 0.77 MAPKAPK2 (0.47) MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL24671574 0.77 MAPKAPK2 (0.52) MAPTSMN1; SMN2KMT2ACSF1R

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
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