SCHEMBL28771982

SCHEMBL28771982

Cc1cc(C(N)=O)c(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA13 Q8N1Q1 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
NNMT P40261 3/20 0.44
CD44 P16070 1/20 0.43
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL20194580 0.89 CA12 (0.50) CA12CA1CA2CA3CA4
SCHEMBL31124522 0.84 CA12 (0.63) CA12CA1CA2CA3CA4
SCHEMBL31124523 0.84 CA12 (0.63) CA12CA1CA2CA3CA4
SCHEMBL5952534 0.83 CD44 (0.56) CA12CA1CA2CA3CA4
SCHEMBL14453581 0.82 CA12 (0.44) CA12CA1CA2CA3CA4
SCHEMBL4639550 0.81 CA12 (0.61) CA12CA1CA2CA3CA4
SCHEMBL11479346 0.81 CA12 (0.59) CA12CA1CA2CA3CA4
SCHEMBL10630611 0.80 CD44 (0.39) CA12CA1CA2CA3CA4
SCHEMBL8617912 0.80 GPR27 (0.42) CD44LMNAKDM4EGPR27GABRA1
SCHEMBL92141 0.80 CA12 (0.50) CA12CA1CA2CA3CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114656407-B Method for preparing saflufenacil intermediate 帕潘纳(北京)科技有限公司 2023-06-16 CN claimed
CN-114656407-A Method for preparing saflufenacil intermediate 帕潘纳(北京)科技有限公司 2022-06-24 CN claimed
CN-114656407-B Method for preparing saflufenacil intermediate 帕潘纳(北京)科技有限公司 2023-06-16 CN disclosed
CN-114656407-A Method for preparing saflufenacil intermediate 帕潘纳(北京)科技有限公司 2022-06-24 CN disclosed