SCHEMBL27729998

SCHEMBL27729998

O=C(Cc1ccccc1)Oc1nc(Cl)c2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ GLA P06280 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PAM P19021 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ GALR3 O60755 1/20 0.39
▸ RAB9A P51151 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
SCHEMBL27810074 0.76 MAPT (0.49) SMN1; SMN2CYP19A1KDM4EGLAMEN1
SCHEMBL1012732 0.74 PIN1 (0.50) SMN1; SMN2ALDH1A1L3MBTL1TSHRHTT
SCHEMBL27709478 0.70 KMT2A (0.51) SMN1; SMN2KDM4ELMNAPOLBGAA
SCHEMBL28195451 0.70 CYP19A1 (0.48) SMN1; SMN2CYP19A1KDM4EGLAMEN1
SCHEMBL3290432 0.68 HSD17B10 (0.56) SMN1; SMN2KDM4EMEN1LMNAGAA
Bicarbonate SCHEMBL11023181 0.68 MAOA (0.48) SMN1; SMN2KDM4EGLAMEN1GAA
SCHEMBL11806239 0.68 SMN1; SMN2 (0.46) SMN1; SMN2CYP19A1KDM4EGLAMEN1
SCHEMBL11783599 0.67 KMT2A (0.61) SMN1; SMN2CYP19A1MEN1MAPTKMT2A
SCHEMBL10573912 0.67 MAPK1 (0.61) SMN1; SMN2CYP19A1KMT2AALDH1A1MAPK1
SCHEMBL538524 0.67 CYP19A1 (0.76) SMN1; SMN2CYP19A1KMT2AALDH1A1MAPK1

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-101208094-B Pharmacokinetic improved compounds SURFACE LOGIX, INC. (US) 2014-10-15 — — CN disclosed
CN-101208094-A Pharmacokinetic improved compounds SURFACE LOGIX INC (US) 2008-06-25 — — CN disclosed
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