SCHEMBL28218536

SCHEMBL28218536

O=C(Nc1cccc(O)c1)c1ccccc1Cl.c1cc2cc(c1)C2

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 2/20 0.60
▸ KCNK9 Q9NPC2 2/20 0.60
▸ F2R P25116 1/20 0.57
▸ LMNA P02545 2/20 0.56
▸ RAB9A P51151 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ MAPT P10636 1/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ SMO Q99835 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ FADS1 O60427 1/20 0.51
▸ PYGL P06737 1/20 0.51

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
SCHEMBL28218899 0.82 ALDH1A1 (0.58) LMNARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL28218534 0.80 KMT2A (0.69) KCNK3KCNK9LMNARAB9ASMN1; SMN2
SCHEMBL28860008 0.79 MEN1 (0.76) KCNK3KCNK9LMNARAB9ASMN1; SMN2
SCHEMBL15778718 0.78 FADS1 (0.74) KCNK3KCNK9F2RLMNARAB9A
SCHEMBL882791 0.77 KCNK3 (0.75) KCNK3KCNK9F2RSMN1; SMN2MEN1
SCHEMBL4372468 0.76 P2RX1 (0.71) LMNARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1203522 0.76 SMO (0.80) KCNK3KCNK9LMNARAB9ASMN1; SMN2
SCHEMBL811056 0.76 KCNK3 (0.68) KCNK3KCNK9F2RSMN1; SMN2MEN1
SCHEMBL11578739 0.76 KCNK3 (0.68) KCNK3KCNK9F2RLMNARAB9A
SCHEMBL259704 0.76 KCNK3 (0.82) KCNK3KCNK9F2RRAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107973727-A Between disubstituted benzenes phenolic compounds and preparation method thereof and anti-tubercle bacillus application 中山大学 2018-05-01 — — CN claimed
CN-107973727-A Between disubstituted benzenes phenolic compounds and preparation method thereof and anti-tubercle bacillus application 中山大学 2018-05-01 — — CN disclosed
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