SCHEMBL22910629

SCHEMBL22910629

C[C@@H](I)NCc1cccc(Oc2ccncc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ FFAR1 O14842 4/20 0.43
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ROCK1 Q13464 3/20 0.40
▸ ROCK2 O75116 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ PRKACA P17612 1/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ PRKX P51817 1/20 0.40
▸ PRKCQ Q04759 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ PTGES O14684 1/20 0.40

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
SCHEMBL23330026 0.89 SMN1; SMN2 (0.46) SMN1; SMN2HTTKDM4EALDH1A1FFAR1
SCHEMBL23229951 0.81 PRMT6 (0.59) SMN1; SMN2HTTKDM4EALDH1A1FFAR1
SCHEMBL14438291 0.76 KDM4E (0.57) SMN1; SMN2HTTKDM4EALDH1A1FFAR1
SCHEMBL16301337 0.76 ALDH1A1 (0.45) SMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL23330025 0.75 LMNA (0.57) SMN1; SMN2HTTKDM4EALDH1A1MAPK1
SCHEMBL12890739 0.72 ALDH1A1 (0.65) SMN1; SMN2HTTKDM4EALDH1A1FFAR1
SCHEMBL100121 0.72 LOXL2 (0.52) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL10223958 0.72 TRPV6 (0.42) SMN1; SMN2HTTKDM4EALDH1A1MEN1
SCHEMBL24061778 0.71 KDM4E (0.49) SMN1; SMN2HTTKDM4EALDH1A1FFAR1
SCHEMBL6204785 0.70 TAAR1 (0.57) SMN1; SMN2ALDH1A1MEN1KMT2A

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
WO-2021011834-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2021-01-21 — — WO disclosed
Send feedback