SCHEMBL21170265

SCHEMBL21170265

C=C(c1cc(-c2ccc(NCC(C)(C)c3ccc(F)cc3)nn2)ccc1N)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IL1B P01584 9/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PSEN1 P49768 3/20 0.34
PSEN2 P49810 3/20 0.34
APH1B Q8WW43 3/20 0.34
NCSTN Q92542 3/20 0.34
APH1A Q96BI3 3/20 0.34
PSENEN Q9NZ42 3/20 0.34
ALDH1A1 P00352 1/20 0.33
TNF P01375 1/20 0.33
NLRP3 Q96P20 1/20 0.31
FPR2 P25090 1/20 0.31
SCN9A Q15858 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL21170213 0.91 IL1B (0.37) IL1BNPC1RAB9AMEN1KMT2A
SCHEMBL21170493 0.91 IL1B (0.37) IL1BNPC1RAB9AMEN1KMT2A
SCHEMBL21170489 0.89 IL1B (0.36) IL1BNPC1RAB9AMEN1KMT2A
SCHEMBL21170253 0.89 IL1B (0.36) IL1BNPC1RAB9AMEN1KMT2A
SCHEMBL21170503 0.89 IL1B (0.36) IL1BNPC1RAB9AMEN1KMT2A
SCHEMBL21170119 0.88 IL1B (0.35) IL1BNPC1RAB9AMEN1KMT2A
SCHEMBL21170495 0.88 IL1B (0.35) IL1BNPC1RAB9AMEN1KMT2A
SCHEMBL18470528 0.82 IL1B (0.34) IL1BNPC1RAB9AMEN1KMT2A
SCHEMBL21170325 0.82 NPC1 (0.36) IL1BNPC1RAB9AMEN1KMT2A
SCHEMBL21170344 0.82 IL1B (0.37) IL1BNPC1RAB9ATNF

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-3127541-B1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS INC (US) 2019-07-17 EP disclosed