SCHEMBL20779671

SCHEMBL20779671

CCn1cnc(-c2cc(SNC)ccc2Nc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 3/20 0.50
▸ YAP1 P46937 1/20 0.50
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ ABL1 P00519 1/20 0.34
▸ BCR P11274 1/20 0.34
▸ TLR2 O60603 6/20 0.34
▸ TLR1 Q15399 6/20 0.34
▸ ACP1 P24666 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ MAPKAPK2 P49137 1/20 0.32
▸ CYP2E1 P05181 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2B6 P20813 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KIF11 P52732 1/20 0.32
▸ MCHR1 Q99705 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
SCHEMBL20779436 0.86 TEAD1 (0.66) TEAD1YAP1ABL1BCRTLR2
SCHEMBL29901814 0.81 TEAD1 (0.77) TEAD1YAP1TLR2TLR1
SCHEMBL20767405 0.81 TEAD1 (0.77) TEAD1YAP1TLR2TLR1
SCHEMBL20779641 0.75 CYP2C19 (0.40) PDE3BPDE3ACYP2E1CYP3A4CYP2A6
SCHEMBL20779733 0.74 DYRK1A (0.42) TEAD1YAP1ABL1BCRAKR1C3
SCHEMBL24790230 0.73 TEAD1 (0.50) TEAD1YAP1
SCHEMBL25097457 0.73 TEAD1 (0.48) TEAD1YAP1ACP1
SCHEMBL24791423 0.73 TEAD1 (0.50) TEAD1YAP1
SCHEMBL20779628 0.72 KAT6A (0.34) PDE3BPDE3ACYP2E1CYP3A4CYP2A6
SCHEMBL25877124 0.72 TEAD1 (0.71) TEAD1YAP1ABL1BCRTLR2

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
WO-2019040380-A1 BENZOSULFONYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2019-02-28 — — WO disclosed
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