SCHEMBL22019617

SCHEMBL22019617

CCn1c(SC2(C(N)=O)CC2)nnc1-c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
TP53 P04637 1/20 0.55
HPGD P15428 2/20 0.53
LMNA P02545 1/20 0.53
HDAC2 Q92769 3/20 0.52
PTK2 Q05397 1/20 0.52
HDAC1 Q13547 1/20 0.49
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ATM Q13315 1/20 0.47
RAB9A P51151 1/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 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
SCHEMBL22019410 0.85 SMN1; SMN2 (0.41) ALDH1A1TP53HPGDLMNAHDAC2
SCHEMBL13831993 0.82 ALDH1A1 (0.51) ALDH1A1TP53HPGDLMNAHDAC2
SCHEMBL22046600 0.81 ALDH1A1 (0.56) ALDH1A1HPGDLMNAHSD17B10KDM4E
SCHEMBL22018966 0.81 SMN1; SMN2 (0.42) ALDH1A1TP53HPGDLMNAHDAC2
SCHEMBL22018989 0.79 SMN1; SMN2 (0.46) ALDH1A1TP53HPGDLMNAHSD17B10
SCHEMBL13832015 0.78 KMT2A (0.51) ALDH1A1TP53HPGDLMNAHDAC2
SCHEMBL13831344 0.78 ALDH1A1 (0.49) ALDH1A1TP53HPGDLMNAHDAC2
SCHEMBL13832021 0.78 ALDH1A1 (0.49) ALDH1A1TP53HPGDLMNAHDAC2
SCHEMBL22019621 0.78 ALDH1A1 (0.73) ALDH1A1TP53HPGDLMNAHDAC2
SCHEMBL22019394 0.77 ALDH1A1 (0.54) ALDH1A1HPGDLMNAHSD17B10KDM4E

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-2704575-B1 COMPOSITION FOR INHIBITION OF INSECT SENSING UNIV VANDERBILT (US) 2020-06-03 EP disclosed
EP-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed