SCHEMBL18798735

SCHEMBL18798735

CC(C)(C)c1ccc2c(c1)OC(CC(C)(C)c1ccc([N+](=O)[O-])cc1)O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.38
▸ LMNA P02545 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ HTT P42858 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ HSD11B1 P28845 4/20 0.35
▸ NPBWR1 P48145 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MDM2 Q00987 2/20 0.34
▸ FAAH O00519 1/20 0.34
▸ MGLL Q99685 1/20 0.34

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
SCHEMBL24904423 0.76 TRPV1 (0.43) MAPTLMNARAB9AHTTSMN1; SMN2
SCHEMBL18798745 0.72 HRH3 (0.34) ALDH1A1
SCHEMBL12463520 0.72 CYP19A1 (0.39) RAB9AHPGDALDH1A1NPC1TDP1
SCHEMBL12877492 0.72 CHRNB4 (0.40) LMNAGAAALDH1A1TDP1HSD17B10
SCHEMBL397351 0.71 HSD17B10 (0.56) MAPTLMNARAB9AHTTSMN1; SMN2
SCHEMBL6223902 0.68 ALDH1A1 (0.54) MAPTLMNARAB9AMEN1KMT2A
SCHEMBL9571113 0.68 CHRNB4 (0.44) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL394201 0.67 LOXL2 (0.52) MAPTALDH1A1HSD11B1POLBACHE
SCHEMBL428785 0.67 ALDH1A1 (0.49) MAPTALDH1A1TDP1HSD11B1POLB
SCHEMBL8743939 0.67 SHBG (0.52) MAPTSMN1; SMN2ALDH1A1HSD11B1POLB

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
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 — — US disclosed
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