SCHEMBL22748249

SCHEMBL22748249

CCN(CC)c1c(C(=O)O)n(-c2ccccc2)c2cc(Br)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.39
TSPO P30536 2/20 0.39
POLB P06746 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
EGLN1 Q9GZT9 1/20 0.37
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
MITF O75030 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAT2A P31153 3/20 0.36
PRMT5 O14744 1/20 0.36
CYP1A2 P05177 1/20 0.36
EDNRA P25101 1/20 0.36
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL22760471 0.90 FOLH1 (0.44) FOLH1TSPOPOLBMEN1KMT2A
SCHEMBL22760319 0.85 MAT2A (0.51) MAT2APRMT5CYP1A2MAPK8MAPK9
SCHEMBL22760121 0.82 FOLH1 (0.39) FOLH1POLBMEN1KMT2AALDH1A1
SCHEMBL22760365 0.82 FOLH1 (0.42) FOLH1POLBMEN1KMT2AALDH1A1
SCHEMBL22747849 0.82 FOLH1 (0.39) FOLH1POLBMEN1KMT2AALDH1A1
SCHEMBL22747888 0.81 FOLH1 (0.42) FOLH1ALDH1A1LMNASMN1; SMN2MAT2A
SCHEMBL22760346 0.81 FOLH1 (0.45) FOLH1ALDH1A1LMNAMAT2APRMT5
SCHEMBL22760065 0.78 JAK2 (0.44) FOLH1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL22760442 0.78 EDNRA (0.50) FOLH1MEN1KMT2ALMNAMAT2A
SCHEMBL22747870 0.78 FOLH1 (0.42) FOLH1MAT2APRMT5CYP1A2EDNRA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020244462-A1 INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF 中国药科大学 2020-12-10 WO disclosed
WO-2020244462-A1 INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF 中国药科大学 2020-12-10 WO disclosed
CN-112028815-A Indole derivatives and medical application thereof 中国药科大学 2020-12-04 CN disclosed