SCHEMBL9496929

SCHEMBL9496929

C=CC(=O)NCc1c(-c2ccccc2)n[nH]c1C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 2/20 0.44
RAB9A P51151 1/20 0.44
MAP2K7 O14733 3/20 0.41
AURKA O14965 1/20 0.41
P2RX7 Q99572 5/20 0.41
ALDH1A1 P00352 1/20 0.39
HPGDS O60760 1/20 0.38
BTK Q06187 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
TGM2 P21980 1/20 0.38
EGFR P00533 1/20 0.38

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
SCHEMBL10519387 0.80 P2RX7 (0.41) GSTO1MAP2K7AURKAP2RX7BTK
SCHEMBL9494566 0.77 ALDH1A1 (0.66) ALDH1A1
SCHEMBL8515102 0.75 RAB9A (0.49) RAB9AALDH1A1HPGDSPDE4APDE4B
SCHEMBL9494557 0.72 KMT2A (0.45) GSTO1ALDH1A1BTK
SCHEMBL12985200 0.72 RAB9A (0.50) RAB9AALDH1A1HPGDSPDE4APDE4B
SCHEMBL9492592 0.72 CYP1A2 (0.52) RAB9AP2RX7ALDH1A1
SCHEMBL4772689 0.71 DHODH (0.53) ALDH1A1
SCHEMBL17055639 0.71 PDE4A (0.48) RAB9AALDH1A1HPGDSPDE4APDE4B
SCHEMBL9609104 0.68 RAB9A (0.43) RAB9AALDH1A1HPGDSPDE4APDE4B
SCHEMBL26909718 0.68 MTNR1A (0.49)

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0345573-B1 2-[(Meth)acrylamidomethyl]-1,3-diketones BASF Aktiengesellschaft (DE) 1993-04-21 EP disclosed
EP-0345638-B1 4-[(Meth)acrylamidomethyl] pyrazoles and isoxazoles, process for their preparation and their use BASF Aktiengesellschaft (DE) 1992-09-16 EP disclosed
US-5015768-A Reaction of diketone with methylol(meth)acrylamide by dehydration BASF AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed
US-5011991-A 2-((meth)acrylamidomethyl)-1,3-diketones BASF AKTIENGESELLSCHAFT (DE) 1991-04-30 US disclosed
US-4946917-A 4-[(meth)acrylamidomethyl]-pyrazoles and -isoxazoles, their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 1990-08-07 US disclosed
US-4939268-A 4-(meth)acrylamidomethyl)-pyrazoles and -isoxazoles, their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 1990-07-03 US disclosed
EP-0345638-A1 4-[(Meth)acrylamidomethyl] pyrazoles and isoxazoles, process for their preparation and their use BASF Aktiengesellschaft (DE) 1989-12-13 EP disclosed
EP-0345573-A2 2-[(Meth)acrylamidomethyl]-1,3-diketones BASF Aktiengesellschaft (DE) 1989-12-13 EP disclosed
EP-0345636-A2 Light-sensitive negative lithographic printing plates BASF Aktiengesellschaft (DE) 1989-12-13 EP disclosed