SCHEMBL20116946

SCHEMBL20116946

COCCc1nn(C(C)C)c2cc(C)ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 1/20 0.37
▸ SYK P43405 2/20 0.35
▸ NLRP3 Q96P20 1/20 0.33
▸ SSTR5 P35346 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ HTR4 Q13639 5/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM1 P11229 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
SCHEMBL20117051 0.85 SYK (0.36) SYKNLRP3SSTR5NR1I2EGFR
SCHEMBL22357741 0.85 MPO (0.36) MPOSYKNLRP3SSTR5MAPK8
SCHEMBL20117058 0.83 HTR2A (0.37) NLRP3SSTR5MAPK8NR1I2EGFR
SCHEMBL20117055 0.81 HTR6 (0.34) SYKNLRP3NR1I2EGFRADRA2A
SCHEMBL20117066 0.78 MTNR1A (0.43) NLRP3MAPK8POLBKDM4ELMNA
SCHEMBL27051631 0.74 NR1I2 (0.38) SYKNLRP3NR1I2EGFRADRA2A
SCHEMBL20116565 0.74 GRM4 (0.44) NR1I2EGFRADRA2AADORA3TBXA2R
SCHEMBL26373750 0.71 NR1I2 (0.38) NR1I2EGFRADRA2AADORA3TBXA2R
SCHEMBL27051630 0.71 RET (0.38) NR1I2EGFRADRA2AADORA3TBXA2R
SCHEMBL20116951 0.70 CMKLR1 (0.35) NLRP3SSTR5POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 — — WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 — — WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 — — WO disclosed
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