SCHEMBL9770306

SCHEMBL9770306

Oc1c(Cl)cnc2ncnn12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 5/20 0.35
AURKA O14965 2/20 0.35
GAA P10253 3/20 0.34
EGLN2 Q96KS0 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GLA P06280 1/20 0.32
RCE1 Q9Y256 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL7096531 0.69 ALDH1A1 (0.48) ALDH1A1POLBKDM4EAURKAGAA
SCHEMBL15688284 0.68 ALDH1A1 (0.42) ALDH1A1POLBKDM4EAURKAGAA
SCHEMBL8482695 0.67 KDM4E (0.38) ALDH1A1POLBKDM4EGAAEGLN2
SCHEMBL6715659 0.66 ENPP1 (0.42) ALDH1A1KDM4EAURKAGAASMN1; SMN2
SCHEMBL9490199 0.64 ALDH1A1 (0.51) ALDH1A1POLBKDM4EGAASMN1; SMN2
SCHEMBL5444481 0.64 ALDH1A1 (0.49) ALDH1A1KDM4EHTT
SCHEMBL14398444 0.63 ALDH1A1 (0.39) ALDH1A1POLBKDM4EEGLN2SMN1; SMN2
SCHEMBL1332491 0.63 ALDH1A1 (0.49) ALDH1A1POLBKDM4EGAAEGLN2
SCHEMBL17933797 0.61 ALDH1A1 (0.41) ALDH1A1POLBKDM4EGAASMN1; SMN2
SCHEMBL609328 0.60 ALDH1A1 (0.50) ALDH1A1POLBGAA

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-5015567-A Sensitization In The Presence Of An Organic Thioether Or A Tetra-substituted Thiourea And A Triazolopyrimidine Stabilizer FUJI PHOTO FILM CO., LTD. (JP) 1991-05-14 US disclosed