SCHEMBL30909308

SCHEMBL30909308

CCCOc1cccc(C(=O)c2ccc3[nH]cc(C4=CCNCC4)c3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
HSD17B10 Q99714 3/20 0.53
KMT2A Q03164 3/20 0.53
HTR6 P50406 2/20 0.53
MEN1 O00255 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
HTR2C P28335 2/20 0.53
HTR1D P28221 1/20 0.53
MAPK1 P28482 1/20 0.53
BRCA1 P38398 1/20 0.53
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
DRD2 P14416 1/20 0.46
ALOX15 P16050 1/20 0.46
JAK2 O60674 1/20 0.45
PRKD3 O94806 1/20 0.45

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
SCHEMBL7485622 1.00 KDM4E (0.53) KDM4EALDH1A1MAPTHSD17B10KMT2A
SCHEMBL8925573 0.78 HTR1D (0.69) KDM4EALDH1A1MAPTHSD17B10KMT2A
SCHEMBL7483889 0.78 HTR1A (0.53) KDM4EHSD17B10KMT2AHTR6HTR2C
SCHEMBL30908991 0.78 HTR1A (0.53) KDM4EHSD17B10KMT2AHTR6HTR2C
SCHEMBL8558613 0.76 HTR6 (0.65) KDM4EALDH1A1MAPTHSD17B10KMT2A
SCHEMBL6631360 0.75 HTR6 (0.60) KDM4EALDH1A1MAPTHSD17B10KMT2A
SCHEMBL9764393 0.74 KDM4E (0.59) KDM4EALDH1A1MAPTHSD17B10KMT2A
SCHEMBL27913517 0.71 KMT2A (0.78) KDM4EALDH1A1MAPTHSD17B10KMT2A
SCHEMBL8820109 0.71 HSD17B10 (0.56) KDM4EALDH1A1MAPTHSD17B10KMT2A
SCHEMBL5705100 0.70 KDM4E (0.66) KDM4EALDH1A1MAPTHSD17B10KMT2A

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
WO-2024073845-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS VALORISATION HSJ, LIMITED PARTNERSHIP (CA) 2024-04-11 WO disclosed