SCHEMBL30697682

SCHEMBL30697682

Clc1ccccc1-c1c[nH]cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
LDHA P00338 1/20 0.43
MAOB P27338 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HSD11B1 P28845 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
CYP19A1 P11511 1/20 0.40
ALPL P05186 1/20 0.40
CYP2A6 P11509 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 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
SCHEMBL1949850 0.78 IDO1 (0.40) IDO1MAOBNPC1RAB9AHPGD
SCHEMBL6812754 0.77 HSP90AA1 (0.45) IDO1ALDH1A1HSD11B1HSP90AA1HSP90AB1
SCHEMBL26259238 0.77 NISCH (0.41) ALDH1A1KDM4EALPLNPC1SMN1; SMN2
SCHEMBL6706693 0.77 IDO1 (0.50) IDO1ALDH1A1TDP1SMN1; SMN2HPGD
SCHEMBL4869539 0.77 NPC1 (0.40) KDM4ENPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL26259557 0.77 IKBKE (0.32) KMT2AMEN1
SCHEMBL26259398 0.77 MEN1 (0.33) SMN1; SMN2ALOX15KMT2AMEN1
SCHEMBL1950526 0.77 LMNA (0.52) IDO1ALDH1A1KDM4ETDP1HPGD
SCHEMBL16147908 0.76
SCHEMBL8306245 0.76 IDO1 (0.47) IDO1MAOBALDH1A1KDM4EDCUN1D1

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
EP-3488287-B1 PRINTING INK, PREFERABLY 3D PRINTING INK, SPECTACLE LENS, AND METHOD FOR MANUFACTURING AN EYEGLASS LENS ZEISS CARL VISION INT GMBH (DE) 2023-12-20 EP disclosed