SCHEMBL20117051

SCHEMBL20117051

Cc1ccc2c(CO)nn(C(C)C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.36
▸ NLRP3 Q96P20 2/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ TBXA2R P21731 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ PDE5A O76074 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ P2RX2 Q9UBL9 1/20 0.34

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
SCHEMBL20116946 0.85 MPO (0.37) SYKNLRP3NR1I2EGFRADRA2A
SCHEMBL20117058 0.82 HTR2A (0.37) NLRP3NR1I2EGFRADRA2AADORA3
SCHEMBL22357756 0.81 PDE2A (0.40) SYKNLRP3POLBHSD17B10SSTR5
SCHEMBL20117055 0.80 HTR6 (0.34) SYKNLRP3NR1I2EGFRADRA2A
SCHEMBL27051631 0.79 NR1I2 (0.38) SYKNLRP3NR1I2EGFRADRA2A
SCHEMBL6112453 0.79 POLB (0.47) POLBSMN1; SMN2
SCHEMBL20116565 0.78 GRM4 (0.44) NR1I2EGFRADRA2AADORA3TBXA2R
SCHEMBL20117066 0.77 MTNR1A (0.43) NLRP3POLBMAPTKDM4EHSD17B10
SCHEMBL26373750 0.76 NR1I2 (0.38) NR1I2EGFRADRA2AADORA3TBXA2R
SCHEMBL27051630 0.76 RET (0.38) NR1I2EGFRADRA2AADORA3TBXA2R

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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