SCHEMBL27264013

SCHEMBL27264013

COCCCCOc1ccnc(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
MAPT P10636 5/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
CYP2C9 P11712 2/20 0.41
WDR5 P61964 2/20 0.41
DDAH1 O94760 1/20 0.41
HTR1A P08908 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
IDE P14735 1/20 0.41
ADRA2B P18089 1/20 0.41
TBXA2R P21731 1/20 0.41
ACHE P22303 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
NPY1R P25929 1/20 0.41
ADORA1 P30542 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41

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
SCHEMBL3040297 0.96 KMT2A (0.43) KMT2AMAPTLMNAALDH1A1HPGD
SCHEMBL29462008 0.96 KMT2A (0.43) KMT2AMAPTLMNAALDH1A1HPGD
SCHEMBL29752537 0.95 KMT2A (0.43) KMT2AMAPTLMNAALDH1A1HPGD
SCHEMBL2986517 0.84 MCHR1 (0.41) KMT2AMAPTLMNAALDH1A1HPGD
SCHEMBL8502625 0.82 KMT2A (0.39) KMT2AMAPTLMNAALDH1A1HPGD
SCHEMBL8790363 0.79 MAOA (0.42) KMT2AMAPTALDH1A1GAASMN1; SMN2
SCHEMBL24520493 0.77 MAPT (0.49) KMT2AMAPTLMNAALDH1A1HPGD
SCHEMBL1308045 0.77 KMT2A (0.49) KMT2AMAPTLMNAALDH1A1HPGD
SCHEMBL16727177 0.76 HPGD (0.50) KMT2AMAPTLMNAALDH1A1HPGD
SCHEMBL1307697 0.76 MAPT (0.48) KMT2AMAPTLMNAALDH1A1HPGD

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-2024075017-A1 INHIBITION OF AORTIC VALVE CALCIFICATION ZABIRNYK ARSENII (NO) 2024-04-11 WO disclosed