SCHEMBL19257745

SCHEMBL19257745

CNC(Cc1ccc(N)cc1)c1nccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.39
PTPRB P23467 1/20 0.39
ADRB2 P07550 1/20 0.38
RAD52 P43351 1/20 0.37
ADRB3 P13945 1/20 0.36
CYP2C19 P33261 1/20 0.36
FBP1 P09467 1/20 0.36
LMNA P02545 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
SLC6A4 P31645 2/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C9 P11712 1/20 0.35
EDNRA P25101 1/20 0.35
ADRA1A P35348 1/20 0.35

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
SCHEMBL22267911 1.00 CCR3 (0.39) CCR3PTPRBADRB2RAD52ADRB3
SCHEMBL22267912 0.86 ADRB3 (0.39) CCR3PTPRBADRB2RAD52ADRB3
SCHEMBL19257958 0.85 PTPRB (0.47) CCR3PTPRBADRB3CYP2C19LMNA
SCHEMBL22267910 0.83 CCR3 (0.36) CCR3PTPRBADRB2RAD52ADRB3
SCHEMBL20586742 0.81 CCR3 (0.47) CCR3PTPRBRAD52ADRB3CYP2C19
SCHEMBL19209330 0.81 CCR3 (0.47) CCR3PTPRBRAD52ADRB3CYP2C19
SCHEMBL19257973 0.78 RAD52 (0.46) CCR3PTPRBADRB2RAD52CYP2C19
SCHEMBL8945778 0.77 SLC6A2 (0.37) CCR3PTPRBADRB3ALDH1A1SLC6A4
Hydrochloric Acid SCHEMBL20586638 0.77 RAD52 (0.45) CCR3PTPRBADRB2RAD52CYP2C19
Hydrochloric Acid SCHEMBL19209193 0.77 RAD52 (0.45) CCR3PTPRBADRB2RAD52CYP2C19

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
WO-2017134547-A1 TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION PFIZER INC. (US) 2017-08-10 WO disclosed