SCHEMBL21170404

SCHEMBL21170404

C=C(N)c1cc(-c2ccc(NCC(C)(C)c3ccc(C)cc3)nn2)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IL1B P01584 14/20 0.40
TNF P01375 1/20 0.37
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
NLRP3 Q96P20 1/20 0.30
USP2 O75604 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL21170344 0.91 IL1B (0.37) IL1BTNFMAPTNPC1RAB9A
SCHEMBL21170492 0.83 IL1B (0.34) IL1BTNFMAPTUSP2
SCHEMBL21170213 0.82 IL1B (0.37) IL1BTNFNPC1RAB9ANLRP3
SCHEMBL21170234 0.81 IL1B (0.35) IL1BTNFMAPTNPC1RAB9A
SCHEMBL21170415 0.80 IL1B (0.36) IL1BTNFNPC1RAB9A
SCHEMBL21170260 0.79 IL1B (0.33) IL1BTNF
SCHEMBL21170421 0.79 IL1B (0.33) IL1BTNF
SCHEMBL21170341 0.78 IL1B (0.39) IL1BTNFMAPTNPC1RAB9A
SCHEMBL21170272 0.77 IL1B (0.39) IL1BTNFMAPTNPC1RAB9A
SCHEMBL21170299 0.76 NPC1 (0.47) IL1BTNFMAPTNPC1RAB9A

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