SCHEMBL28809307

SCHEMBL28809307

Cc1ccc2c(C)ccc(N3CCN(C(=O)O)CC3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
OPRK1 P41145 1/20 0.45
NCF1 P14598 2/20 0.42
MEN1 O00255 4/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
USP2 O75604 2/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.39
TSHR P16473 2/20 0.37
GOT1 P17174 1/20 0.37
GBA1 P04062 1/20 0.37

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
SCHEMBL4180873 0.82 HTR1A (0.46) KMT2ANCF1MEN1ALDH1A1KDM4E
SCHEMBL4178112 0.77 NCF1 (0.59) KMT2ANCF1MEN1
SCHEMBL630705 0.69 KMT2A (0.70) KMT2AOPRK1MEN1ALDH1A1KDM4E
SCHEMBL9052600 0.69 HTT (0.71) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL25096858 0.69 CKS1B (0.44) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL30217575 0.69 CKS1B (0.44) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL900155 0.69 NCF1 (0.82) KMT2ANCF1MEN1KDM4EUSP2
SCHEMBL631024 0.68 AKR1C3 (0.65) KMT2AALDH1A1HTTLMNAPOLB
SCHEMBL20339488 0.68 HTR3E (0.63) KMT2AALDH1A1KDM4EGAA
SCHEMBL4185271 0.67 MEN1 (0.44) KMT2AMEN1ALDH1A1LMNAMAPT

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-114846015-A Substituted heteroaryl compounds useful as T cell activators 百时美施贵宝公司 2022-08-02 CN disclosed