SCHEMBL28887709

SCHEMBL28887709

O=C(Nc1ccc(CC2CNCCO2)cc1N1CCCCC1)c1ccc(Br)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 5/20 0.57
▸ ALDH1A1 P00352 6/20 0.55
▸ HTT P42858 4/20 0.55
▸ MAPK10 P53779 3/20 0.55
▸ GAA P10253 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ KMT2A Q03164 2/20 0.49
▸ TSHR P16473 3/20 0.48
▸ HPGD P15428 2/20 0.48
▸ POLB P06746 2/20 0.46
▸ ATM Q13315 2/20 0.46

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
SCHEMBL28383104 0.93 CYP1A2 (0.58) CSF1RALDH1A1HTTMAPK10GAA
SCHEMBL28380085 0.85 PIM1 (0.42) CSF1R
SCHEMBL28379118 0.85 PIM1 (0.43) CSF1RALDH1A1HTTMAPK10GAA
SCHEMBL28378607 0.81 CSF1R (0.51) CSF1RALDH1A1HTTMAPK10GAA
SCHEMBL28382809 0.78 PIM1 (0.43) CSF1RALDH1A1HTTMAPK10GAA
SCHEMBL28379087 0.78 PIM1 (0.41) CSF1RGAACYP1A2CYP2C9CYP2C19
SCHEMBL20598528 0.77 CSF1R (0.61) CSF1RALDH1A1HTTMAPK10GAA
SCHEMBL28379474 0.77 CYP1A2 (0.50) CSF1RALDH1A1HTTMAPK10GAA
SCHEMBL20598407 0.77 NPC1 (0.63) CSF1RALDH1A1HTTMAPK10GAA
SCHEMBL28378694 0.76 CYP1A2 (0.53) CSF1RALDH1A1HTTMAPK10GAA

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
CN-111032642-A Kinase inhibitors and methods of making and using 里格尔药品股份有限公司 2020-04-17 — — CN disclosed
Send feedback