SCHEMBL25324444

SCHEMBL25324444

O=C(Cl)C(=O)OCc1ccccc1.O=C(Nc1cnc2c(c1)C(=O)NCC2)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ BTK Q06187 7/20 0.37
▸ RIPK2 O43353 1/20 0.36
▸ RIPK1 Q13546 1/20 0.36
▸ RIPK3 Q9Y572 1/20 0.36
▸ RORC P51449 1/20 0.35
▸ S1PR2 O95136 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ AGTR1 P30556 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TLR9 Q9NR96 1/20 0.35

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
SCHEMBL30551254 1.00 CYP1A2 (0.38) CYP1A2GRM5ALDH1A1BTKRIPK2
SCHEMBL25322394 0.95 ALDH1A1 (0.41) CYP1A2GRM5ALDH1A1BTKRIPK2
SCHEMBL25321038 0.76 PARP1 (0.36) CYP1A2GRM5
SCHEMBL25322726 0.75 PARP1 (0.35) CYP1A2GRM5
SCHEMBL30551412 0.73 PRF1 (0.31) —
SCHEMBL25319613 0.73 PRF1 (0.31) —
SCHEMBL10009086 0.72 MAOA (0.49) CYP1A2GRM5
SCHEMBL24879177 0.68 WNT3A (0.53) ALDH1A1ROCK2
SCHEMBL17133429 0.67 NTRK1 (0.49) CYP1A2GRM5RIPK2RIPK1RIPK3
SCHEMBL24367126 0.67 ALDH1A1 (0.55) ALDH1A1BTKMAPTRAB9ASMN1; SMN2

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-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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