SCHEMBL24670456

SCHEMBL24670456

CC(C)Nc1ccc(CCNC(=N)N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ST14 Q9Y5Y6 2/20 0.43
▸ GAA P10253 2/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ EPHX1 P07099 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDM4E B2RXH2 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
SCHEMBL26005420 0.81 ST14 (0.46) ST14GAAIDO1LMNAKMT2A
SCHEMBL12997107 0.80 F10 (0.49) ST14GAAIDO1LMNAPOLB
SCHEMBL20077692 0.80 CA12 (0.49) ST14GAAIDO1LMNAPOLB
SCHEMBL27115810 0.79 F7 (0.38) LMNAKMT2AMAPTTDP1ALDH1A1
SCHEMBL23135379 0.79 ADRA2A (0.45) ST14GAAIDO1LMNAKMT2A
Hydrochloric Acid SCHEMBL28482528 0.79 F10 (0.48) ST14IDO1LMNAPOLBKMT2A
SCHEMBL10310202 0.78 NPC1 (0.51) ST14IDO1LMNAPOLBKMT2A
SCHEMBL10310256 0.78 ST14 (0.49) ST14IDO1LMNAKMT2AALDH1A1
SCHEMBL18401402 0.78 ST14 (0.49) ST14IDO1ALDH1A1HSD17B10L3MBTL1
SCHEMBL12401907 0.77 ST14 (0.51) ST14GAAIDO1LMNAKMT2A

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-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
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