SCHEMBL11247229

SCHEMBL11247229

Fc1ccc(-c2nc(Br)c(C(F)(F)F)[nH]2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
AMY1A P0DUB6 7/20 0.41
DHODH Q02127 2/20 0.37
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
TRPA1 O75762 1/20 0.33
KMO O15229 1/20 0.33
PTGES O14684 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32

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
SCHEMBL11252262 0.88 PTGES (0.38) ABCC8KCNJ11AMY1APTGES
SCHEMBL11256340 0.88 AMY1A (0.40) ABCC8KCNJ11AMY1APIK3R1PIK3CA
SCHEMBL11241077 0.86 MPL (0.44) ABCC8KCNJ11
SCHEMBL11260493 0.82 MPL (0.36) AMY1A
SCHEMBL11261336 0.82 MPL (0.36) AMY1A
SCHEMBL11260918 0.82 AKR1C3 (0.33) AMY1ADHODHPDE3BPDE3A
SCHEMBL11262400 0.81 CYP1A2 (0.40) AMY1APTGES
SCHEMBL11248679 0.79 SCD (0.40)
SCHEMBL11259416 0.79 HDAC6 (0.34) DHODH
SCHEMBL11257902 0.79 DHODH (0.32) DHODH

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
US-4314844-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1982-02-09 US disclosed