SCHEMBL14159169

SCHEMBL14159169

CBc1ccc(F)cc1CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 4/20 0.35
▸ RIPK1 Q13546 3/20 0.35
▸ PKM P14618 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HTR2A P28223 2/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ PARK7 Q99497 1/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32

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
SCHEMBL3667517 0.75 IDO1 (0.40) KDM4EMAPTRIPK1PKMSMN1; SMN2
SCHEMBL861831 0.73 RIPK1 (0.50) MAPTRIPK1PKMSMN1; SMN2PSEN1
SCHEMBL14566097 0.73 ALDH1A1 (0.42) MAPTHTTTRPA1KMT2AMEN1
SCHEMBL24776611 0.72 HSP90AA1 (0.36) KDM4EMAPTSMN1; SMN2LMNAHTT
SCHEMBL8202352 0.71 MAPT (0.38) KDM4EMAPTRIPK1PKMSMN1; SMN2
SCHEMBL8240380 0.71 SLC6A4 (0.40) KDM4EMAPTRIPK1PKMSMN1; SMN2
SCHEMBL16483392 0.71 KDM4E (0.40) KDM4EMAPTRIPK1PKMSMN1; SMN2
SCHEMBL14308115 0.70 ALDH1A1 (0.44) KDM4ESLC6A4HTT
SCHEMBL1548511 0.70 ALDH1A1 (0.50) MAPTRIPK1PKMSMN1; SMN2HTR2A
SCHEMBL5404811 0.70 KCNH2 (0.56) KDM4ERIPK1HTR2AKCNH2SLC6A4

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
WO-2017183043-A1 NOVEL PROCESS FOR THE PREPARATION OF TAVABOROLE, ITS NOVEL POLYMORPHIC FORMS AND THE POLYMORPHS THEREOF BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2017-10-26 — — WO disclosed
EP-1594878-B1 AVERMECTIN MONOSACCHARIDE DERIVATIVES HAVING PESTICIDAL PROPERTIES MERIAL LTD (GB) 2008-06-04 — — EP disclosed
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