SCHEMBL20204792

SCHEMBL20204792

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.48
LMNA P02545 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
NR4A2 P43354 1/20 0.41
CREBBP Q92793 1/20 0.41
ATM Q13315 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 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
SCHEMBL20204843 0.90 ALDH1A1 (0.46) PBRM1LMNAGPR84KMT2AALDH1A1
SCHEMBL20204841 0.84 PBRM1 (0.53) PBRM1LMNAGPR84KMT2AALDH1A1
SCHEMBL20204958 0.75 PBRM1 (0.57) PBRM1LMNAGPR84KMT2AALDH1A1
SCHEMBL27320955 0.72 PBRM1 (0.67) PBRM1LMNAGPR84KMT2AALDH1A1
SCHEMBL13134166 0.72 PBRM1 (0.67) PBRM1LMNAGPR84KMT2AALDH1A1
Potassium Ion SCHEMBL28457267 0.70 GPR84 (0.62) PBRM1LMNAGPR84KMT2AALDH1A1
SCHEMBL7372877 0.69 PBRM1 (0.71) PBRM1LMNAGPR84KMT2AALDH1A1
SCHEMBL17232878 0.69 PBRM1 (0.71) PBRM1LMNAGPR84KMT2AALDH1A1
SCHEMBL27762348 0.69 GPR84 (0.64) PBRM1GPR84KMT2AALDH1A1NR4A2
SCHEMBL5653872 0.69 GPR84 (0.64) PBRM1GPR84KMT2AALDH1A1NR4A2

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