SCHEMBL30497166

SCHEMBL30497166

Cn1nnc(-c2cccc(C(=O)O)c2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.62
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
TSHR P16473 1/20 0.59
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
HDAC6 Q9UBN7 1/20 0.53
KMO O15229 2/20 0.50
MAPK1 P28482 2/20 0.47
RECQL P46063 1/20 0.46
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAP2K4 P45985 1/20 0.44
MAPKAPK3 Q16644 1/20 0.44
MAPK6 Q16659 1/20 0.44
CD74 P04233 1/20 0.44

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
SCHEMBL25254317 1.00 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ATSHRCASP3
SCHEMBL30967607 0.86 NPC1 (0.47) SMN1; SMN2NPC1RAB9ATSHRCASP3
SCHEMBL3605066 0.81 NPC1 (0.44) SMN1; SMN2NPC1RAB9ATSHRCASP3
SCHEMBL8212790 0.80 ACLY (0.53) SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL3087490 0.80 LMNA (0.54) SMN1; SMN2NPC1RAB9ATSHRCASP3
SCHEMBL30497153 0.79 KIFC1 (0.58) SMN1; SMN2NPC1RAB9ATSHRHDAC6
SCHEMBL25297850 0.79 KIFC1 (0.58) SMN1; SMN2NPC1RAB9ATSHRHDAC6
SCHEMBL1628780 0.79 HSD17B2 (0.58) SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL31734205 0.77 KMO (0.67) SMN1; SMN2NPC1RAB9AKMOMAPK1
SCHEMBL344042 0.77 RAB9A (0.53) SMN1; SMN2NPC1RAB9AMAPK1HPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4615838-A1 SUBSTITUTED BI-AND TRICYCLIC HSET INHIBITORS Merck Patent GmbH (DE) 2025-09-17 EP disclosed
EP-4577537-A1 SUBSTITUTED BICYCLES AS HSET INHIBITORS Merck Patent GmbH (DE) 2025-07-02 EP disclosed
CN-120091998-A Substituted bicyclic rings as HSET inhibitors 默克专利股份公司 2025-06-03 CN disclosed
CN-119421877-A Substituted heterocyclic compounds as HSET inhibitors 默克专利股份公司 2025-02-11 CN disclosed
EP-4463444-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS Merck Patent GmbH (DE) 2024-11-20 EP disclosed
WO-2024099898-A1 SUBSTITUTED BI-AND TRICYCLIC HSET INHIBITORS MERCK PATENT GMBH (DE) 2024-05-16 WO disclosed
WO-2024042007-A1 SUBSTITUTED BICYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2024-02-29 WO disclosed
WO-2023131690-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2023-07-13 WO disclosed