SCHEMBL21471611

SCHEMBL21471611

Cc1nn[nH]c1C(=O)c1cc2c(s1)-c1ccc(F)cc1N(C(=O)c1ccc(N)cc1)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.38
RAB9A P51151 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
CYP11B2 P19099 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 2/20 0.34
LMNA P02545 4/20 0.33
AVPR1A P37288 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 3/20 0.33
ROCK2 O75116 1/20 0.32
NOTUM Q6P988 1/20 0.32
BRD4 O60885 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
SCHEMBL21474621 0.83 GAA (0.44) AVPR2RAB9AALDH1A1MAPTCYP11B2
SCHEMBL21471679 0.82 AVPR2 (0.35) AVPR2RAB9AALDH1A1MAPTCYP11B2
SCHEMBL20619531 0.80 ALDH1A1 (0.48) RAB9AALDH1A1MAPTKMT2AMEN1
SCHEMBL20619667 0.80 AVPR2 (0.38) AVPR2RAB9AALDH1A1MAPTCYP11B2
SCHEMBL21474611 0.80 LMNA (0.36) AVPR2RAB9AALDH1A1MAPTKMT2A
SCHEMBL20620045 0.78 HDAC1 (0.42) AVPR2RAB9AALDH1A1MAPTCYP11B2
SCHEMBL21474754 0.77 AVPR2 (0.38) AVPR2RAB9AALDH1A1MAPTCYP11B2
SCHEMBL21471718 0.77 AVPR2 (0.38) AVPR2RAB9AALDH1A1MAPTCYP11B2
SCHEMBL20622168 0.76 AVPR2 (0.41) AVPR2RAB9AMAPTKMT2AMEN1
SCHEMBL21471702 0.76 CYP11B2 (0.36) AVPR2RAB9AALDH1A1MAPTCYP11B2

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-2019199908-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2019-10-17 WO disclosed