SCHEMBL31035280

SCHEMBL31035280

Cc1ccc2oc(N3CCCCC3)c(C)c(=O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
KMT2A Q03164 2/20 0.50
NR2E3 Q9Y5X4 1/20 0.50
MAPT P10636 4/20 0.46
PRKDC P78527 2/20 0.46
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
HK1 P19367 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
ALPG P10696 1/20 0.43
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39

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
SCHEMBL31035311 0.87 PRKDC (0.61) NPC1KMT2ANR2E3PRKDCSMN1; SMN2
SCHEMBL30081607 0.86 AKT1 (0.46) NPC1KMT2ANR2E3MAPTPRKDC
SCHEMBL31035236 0.84 PRKDC (0.42) NPC1KMT2ANR2E3MAPTPRKDC
SCHEMBL31035542 0.76 PIK3CA (0.50) MAPTPRKDCALPGKDM4EALDH1A1
SCHEMBL30081540 0.75 KMT2A (0.51) NPC1KMT2ANR2E3MAPTPRKDC
SCHEMBL31035223 0.75 AKT1 (0.42) NPC1MAPTTP53TSHR
SCHEMBL31035410 0.74 KDM4E (0.44) NPC1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL10901602 0.72 ALDH1A1 (0.54) NPC1KMT2AMAPTPRKDCSMN1; SMN2
SCHEMBL29253032 0.72 KMT2A (0.43) NPC1KMT2ANR2E3MAPTPRKDC
SCHEMBL29003817 0.72 NPC1 (0.44) NPC1KMT2AMAPTPRKDCTP53

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-4680612-A1 CHEMICAL COMPOUNDS AN2 Therapeutics, Inc. (US) 2026-01-21 EP disclosed
WO-2024192309-A1 CHEMICAL COMPOUNDS REACTIVE BIOSCIENCES, INC. (US) 2024-09-19 WO disclosed