SCHEMBL29438488

SCHEMBL29438488

c1cc(-c2csc(-c3cc[nH]n3)n2)n[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.37
KDM4E B2RXH2 9/20 0.36
RAB9A P51151 6/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
AR P10275 2/20 0.34
CYP1A1 P04798 2/20 0.33
CYP1B1 Q16678 2/20 0.33
AXL P30530 1/20 0.33
PBRM1 Q86U86 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33

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
SCHEMBL27795092 0.80 ALDH1A1 (0.47) KDM4ERAB9AKMT2AMAPTMEN1
SCHEMBL1673128 0.75
SCHEMBL31341048 0.69 RAB9A (0.57) CYP19A1KDM4ERAB9AKMT2AMAPT
Bromide SCHEMBL3354419 0.69 KMT2A (0.58) RAB9AKMT2AMAPTMEN1MKNK2
SCHEMBL1782526 0.68 HSP90AA1 (0.46) RAB9ACYP1A1CYP1B1
SCHEMBL28116569 0.68 FBP1 (0.31)
SCHEMBL2458453 0.67 CCR1 (0.41) KDM4ERAB9AKMT2AMAPTMEN1
SCHEMBL6330575 0.67 HSP90AA1 (0.44) RAB9ACYP1A1CYP1B1
SCHEMBL633330 0.67 KDM4E (0.44) KDM4ERAB9AMAPTL3MBTL1HPGD
SCHEMBL28408851 0.66 KDM4E (0.33) KDM4ETDP1

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-3976605-A1 METHODS FOR MAKING THISZOLYLPYRAZOLE CARBOXYLIC ACIDS AND INTERMEDIATES THEREFOR Bantam Pharmaceutical, LLC (US) 2022-04-06 EP disclosed