SCHEMBL23930205

SCHEMBL23930205

Cc1cc2cc(C(N)=O)cc(OCI)c2nn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
BPTF Q12830 1/20 0.37
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PSMD14 O00487 1/20 0.33
STAMBP O95630 1/20 0.33
COPS5 Q92905 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
HPGDS O60760 1/20 0.32
PARP10 Q53GL7 1/20 0.31

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
SCHEMBL30007169 0.86 TSHR (0.45) TSHRBPTFHTTNCOA1NCOA3
SCHEMBL30471266 0.82 NNMT (0.38) TSHRBPTFHTTLMNANCOA1
SCHEMBL30211269 0.78 TSHR (0.34) TSHRHTTLMNASMN1; SMN2APOBEC3A
SCHEMBL30211249 0.77 PDE4D (0.39) TSHRPARP10
SCHEMBL23905617 0.73 LMNA (0.50) TSHRHTTLMNAMAPK1ALDH1A1
SCHEMBL23904745 0.73 CA12 (0.50) TSHRHTTLMNAMAPK1
SCHEMBL23905572 0.71 KDM4E (0.47) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL23905575 0.71 HCRTR1 (0.35) TSHR
SCHEMBL30007092 0.70 PARP1 (0.48) TSHRBPTFHTTNCOA1NCOA3
SCHEMBL23930093 0.69 CA12 (0.39) TSHRHTTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4139293-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2023-03-01 EP disclosed
WO-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 WO disclosed