SCHEMBL29109456

SCHEMBL29109456

COc1cc(C(=O)O)c(Br)cc1CN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.52
FYN P06241 1/20 0.52
HTT P42858 1/20 0.51
KCNJ1 P48048 1/20 0.48
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 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
SCHEMBL26628786 0.89 KMT2A (0.55) HTTKCNJ1KDM4EMAPTKMT2A
SCHEMBL221039 0.77 KCNJ1 (0.54) HTTKCNJ1KDM4EMAPTKMT2A
SCHEMBL29109429 0.77 MEN1 (0.47) KCNJ1KDM4EMAPTKMT2ASMN1; SMN2
SCHEMBL31463887 0.77 HCRTR1 (0.57) KCNJ1KDM4EMAPTKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL4902833 0.76 KCNJ1 (0.53) HTTKCNJ1KDM4EMAPTKMT2A
SCHEMBL18227502 0.76 KDM4E (0.61) HTTKCNJ1KDM4EMAPTKMT2A
SCHEMBL2217484 0.74 KDM4E (0.55) HTTKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL167736 0.74 CYP2A13 (0.47) HTTKDM4EMAPTKMT2AALDH1A1
SCHEMBL166409 0.74 CYP2A13 (0.47) HTTKDM4EMAPTKMT2AALDH1A1
SCHEMBL16400206 0.73 KDM4E (0.74) HTTKDM4EMAPTKMT2ASMN1; SMN2

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-116648250-A Novel quinazoline derivatives as SOS1 inhibitors and uses thereof 韩美药品株式会社 2023-08-25 CN disclosed