SCHEMBL99676

SCHEMBL99676

Cc1cc2c(C(=O)CCl)ccnc2n1OCC[Si](C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 10/20 0.34
HTT P42858 6/20 0.34
MITF O75030 6/20 0.34
LMNA P02545 6/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
HKDC1 Q2TB90 2/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 4/20 0.33
KDM4E B2RXH2 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
NPC1 O15118 1/20 0.31
NUDT1 P36639 1/20 0.30

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
SCHEMBL99873 0.74
SCHEMBL99611 0.73 MAPT (0.36) ALDH1A1GAAMAPTNPC1
SCHEMBL2186138 0.68 ALDH1A1 (0.30) ALDH1A1LMNA
SCHEMBL100858 0.68
SCHEMBL21251037 0.67 CDC7 (0.30)
SCHEMBL15970561 0.65 JAK2 (0.33)
SCHEMBL31347135 0.65 MAPT (0.42) ALDH1A1MAPTLMNAPOLBKDM4E
SCHEMBL2184103 0.64 JAK2 (0.35)
SCHEMBL15646250 0.63 KDM4E (0.36) LMNAKDM4ENUDT1
SCHEMBL5668816 0.62 MAPT (0.43) ALDH1A1MAPTMITFLMNASMN1; 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
EP-2426129-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2012-03-07 EP disclosed