SCHEMBL27094367

SCHEMBL27094367

O=C(O)N1CCN(c2c([N+](=O)[O-])cnc3c(F)c(Br)ncc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
ALDH1A1 P00352 9/20 0.36
MAPT P10636 8/20 0.36
LMNA P02545 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR174 Q9BXC1 3/20 0.34
GRM5 P41594 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL30998001 0.85 MAPT (0.46) ALDH1A1MAPTLMNASMN1; SMN2GPR174
SCHEMBL27094352 0.85 MAPT (0.46) ALDH1A1MAPTLMNASMN1; SMN2GPR174
SCHEMBL27094458 0.79 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL9261808 0.74 KMT2A (0.47) ALDH1A1MAPTLMNASMN1; SMN2GRM5
SCHEMBL27094393 0.73 MAPT (0.40) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL30998006 0.73 MAPT (0.40) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL21050774 0.71 MAPT (0.38) ABL1BCRALDH1A1MAPTLMNA
SCHEMBL29889640 0.70 ALDH1A1 (0.34) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL27094347 0.70 ALDH1A1 (0.34) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL21136735 0.70 KCNH2 (0.47) ALDH1A1MAPTLMNASMN1; SMN2GPR174

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
EP-4322945-A2 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2024-02-21 EP disclosed