SCHEMBL5604301

SCHEMBL5604301

Cc1ccc(N)cc1-c1cc(CNC(=O)O)on1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
CYP1A2 P05177 3/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 4/20 0.41
HTT P42858 3/20 0.41
JAK2 O60674 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 2/20 0.38
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPT P10636 3/20 0.36
EPHX2 P34913 2/20 0.35
KLKB1 P03952 1/20 0.35
KLK1 P06870 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
USP2 O75604 1/20 0.34

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
SCHEMBL5593366 0.82 KMT2A (0.42) POLBSMN1; SMN2CYP1A2LMNAALDH1A1
SCHEMBL5593372 0.82 KMT2A (0.42) POLBSMN1; SMN2CYP1A2LMNAALDH1A1
SCHEMBL5593028 0.78 GAA (0.48) SMN1; SMN2CYP1A2ALDH1A1HPGDCYP2D6
SCHEMBL6401623 0.75 NOTUM (0.61) POLBSMN1; SMN2CYP1A2LMNAALDH1A1
SCHEMBL5604308 0.74 BRAF (0.34) SMN1; SMN2CYP1A2ALDH1A1HPGDCYP2D6
SCHEMBL5593360 0.72 TSHR (0.55) POLBSMN1; SMN2CYP1A2LMNAALDH1A1
SCHEMBL4204403 0.72 EPHX2 (0.57) POLBSMN1; SMN2CYP1A2ALDH1A1EPHX2
SCHEMBL3863217 0.72 KDM4A (0.43) POLBSMN1; SMN2CYP1A2LMNAALDH1A1
SCHEMBL5602271 0.71 HTT (0.43) POLBSMN1; SMN2CYP1A2LMNAALDH1A1
SCHEMBL11495864 0.71 POLB (0.78) POLBSMN1; SMN2CYP1A2LMNAALDH1A1

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-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed