SCHEMBL20204958

SCHEMBL20204958

C=C(/C(C)=C\C)c1c[nH]c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.57
GPR84 Q9NQS5 1/20 0.51
NR4A2 P43354 2/20 0.49
CREBBP Q92793 1/20 0.49
ALDH1A1 P00352 2/20 0.49
ATM Q13315 2/20 0.49
LMNA P02545 1/20 0.47
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43

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
SCHEMBL20204841 0.83 PBRM1 (0.53) PBRM1GPR84NR4A2CREBBPALDH1A1
SCHEMBL13134166 0.80 PBRM1 (0.67) PBRM1GPR84NR4A2CREBBPALDH1A1
SCHEMBL4029825 0.80 PBRM1 (0.67) PBRM1GPR84NR4A2CREBBPALDH1A1
SCHEMBL4029828 0.80 PBRM1 (0.67) PBRM1GPR84NR4A2CREBBPALDH1A1
SCHEMBL20204791 0.80 PBRM1 (0.57) PBRM1GPR84NR4A2CREBBPALDH1A1
SCHEMBL6156793 0.77 PBRM1 (0.58) PBRM1GPR84NR4A2CREBBPALDH1A1
SCHEMBL7372877 0.76 PBRM1 (0.71) PBRM1GPR84NR4A2CREBBPALDH1A1
SCHEMBL17232878 0.76 PBRM1 (0.71) PBRM1GPR84NR4A2CREBBPALDH1A1
SCHEMBL5653872 0.76 GPR84 (0.64) PBRM1GPR84NR4A2CREBBPALDH1A1
SCHEMBL245111 0.76 GPR84 (0.65) PBRM1GPR84NR4A2CREBBPALDH1A1

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-2018098473-A1 REAGENTS AND METHODS FOR ANALYSIS OF PROTEINS AND METABOLITES TARGETED BY COVALENT PROBES DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-31 WO disclosed