SCHEMBL21150821

SCHEMBL21150821

O=C(Nc1cccc(-c2c[nH]nn2)c1)NC1CC2(C1)NC(=O)N(Cc1ccccc1)C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DCUN1D1 Q96GG9 4/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ RIPK1 Q13546 1/20 0.41
▸ NPY1R P25929 1/20 0.40
▸ CCR3 P51677 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ UBE2M P61081 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ F10 P00742 1/20 0.39
▸ HPN P05981 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ HGFAC Q04756 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
SCHEMBL24974635 0.80 HDAC3 (0.43) DCUN1D1TSHRHDAC3HDAC1HDAC2
SCHEMBL21150824 0.79 DCUN1D1 (0.44) DCUN1D1KMT2AALDH1A1POLBNPY1R
SCHEMBL21151185 0.76 HDAC1 (0.41) ALDH1A1NPY1RMAPTLMNAHTT
SCHEMBL24974685 0.74 KMT2A (0.37) KMT2A
SCHEMBL21151173 0.72 TACR1 (0.47) KMT2AALDH1A1MAPTKDM4E
SCHEMBL21150801 0.69 L3MBTL1 (0.54) KMT2AALDH1A1NPY1RDRD2LMNA
SCHEMBL5613044 0.67 KMT2A (0.57) KMT2AALDH1A1POLBMAPTLMNA
SCHEMBL5612905 0.67 METAP2 (0.61) ALDH1A1MAPTHTTTSHRSMN1; SMN2
SCHEMBL24216689 0.67 MAP4K4 (0.50) KMT2AALDH1A1POLBMAPTTSHR
SCHEMBL24027900 0.66 CYP2C19 (0.46) KMT2AALDH1A1MAPTLMNASMN1; SMN2

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-2019136442-A1 CD16A BINDING AGENTS AND USES THEREOF KLEO PHARMACEUTICALS, INC. (US) 2019-07-11 — — WO disclosed
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