SCHEMBL31306241

SCHEMBL31306241

CCn1nccc1-c1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
ALK Q9UM73 1/20 0.42
CCNK O75909 1/20 0.41
CDK12 Q9NYV4 1/20 0.41
ABL1 P00519 1/20 0.39
CYP3A4 P08684 3/20 0.38
CYP19A1 P11511 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
NR3C2 P08235 1/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL3488413 0.81 SLC13A5 (0.46) SLC13A5SMN1; SMN2ALKCCNKCDK12
SCHEMBL17066883 0.81 ALK (0.50) SLC13A5SMN1; SMN2LMNAALKCCNK
SCHEMBL6070118 0.78 SLC13A5 (0.50) SLC13A5ALKABL1ALDH1A1HPGD
SCHEMBL14405048 0.77 SLC13A5 (0.46) SLC13A5LMNAALKCCNKCDK12
SCHEMBL25412192 0.76 SLC13A5 (0.43) SLC13A5ALKCCNKCDK12ABL1
SCHEMBL25412190 0.76 SLC13A5 (0.43) SLC13A5ALKCCNKCDK12ABL1
SCHEMBL26963203 0.75 SLC13A5 (0.44) SLC13A5SMN1; SMN2ALKCCNKCDK12
Hydrochloric Acid SCHEMBL30416536 0.75 SLC13A5 (0.42) SLC13A5ALKCCNKCDK12ABL1
SCHEMBL16826278 0.75 CYP3A4 (0.53) SLC13A5SMN1; SMN2LMNACYP3A4CYP19A1
SCHEMBL12681327 0.71 CCNK (0.39) SLC13A5ALKCCNKCDK12ABL1

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
EP-4734979-A2 TMEM175 AGONISTS, COMPOSITIONS, AND METHODS OF USE Caraway Therapeutics, Inc. (US) 2026-05-06 EP disclosed
WO-2025006723-A2 TMEM175 AGONISTS, COMPOSITIONS, AND METHODS OF USE CARAWAY THERAPEUTICS, INC. (US) 2025-01-02 WO disclosed