SCHEMBL31306342

SCHEMBL31306342

Cc1cnn(C)c1-c1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TP53 P04637 3/20 0.41
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
KEAP1 Q14145 1/20 0.40
CREBBP Q92793 1/20 0.40
BRD4 O60885 1/20 0.38
MAPT P10636 3/20 0.37
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
BPTF Q12830 1/20 0.36
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL14996666 0.84 PDE2A (0.41) NPC1RAB9AHSD17B10PKMCREBBP
SCHEMBL19369166 0.81 RAB9A (0.43) TP53KDM4ENPC1RAB9AGAA
SCHEMBL27037461 0.81 PDE2A (0.43) ALDH1A1KDM4ENPC1RAB9ACREBBP
SCHEMBL21051439 0.81 NPC1 (0.42) ALDH1A1TP53KDM4ENPC1RAB9A
SCHEMBL12856337 0.81 PDE2A (0.43) ALDH1A1TP53NPC1RAB9ACREBBP
SCHEMBL15745978 0.80 CYP1A1 (0.44) CREBBPBRD4MAPTPTGS2PDE2A
SCHEMBL18985744 0.80 TDP1 (0.43) ALDH1A1TP53KDM4ENPC1RAB9A
SCHEMBL30230864 0.80 NOS3 (0.42) ALDH1A1KDM4ENPC1RAB9AHSD17B10
SCHEMBL9911757 0.80 PTGS2 (0.46) ALDH1A1KDM4ENPC1RAB9ACREBBP
SCHEMBL31306253 0.79 KEAP1 (0.39) ALDH1A1TP53KDM4ENPC1RAB9A

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