SCHEMBL9079268

SCHEMBL9079268

CC(O)=C(C#N)C(=O)Nc1cccnc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 11/20 0.55
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
GAA P10253 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 1/20 0.50
THRB P10828 1/20 0.50
BLM P54132 1/20 0.50
BTK Q06187 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PLK3 Q9H4B4 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
NPC1 O15118 3/20 0.48

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
SCHEMBL8811677 1.00 DHODH (0.55) DHODHALDH1A1MEN1KMT2ACYP1A2
SCHEMBL5914909 0.80 DHODH (0.71) DHODHALDH1A1MEN1KMT2ACYP1A2
SCHEMBL5914908 0.80 DHODH (0.71) DHODHALDH1A1MEN1KMT2ACYP1A2
SCHEMBL445461 0.78 SMN1; SMN2 (0.61) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL6143237 0.76 SMN1; SMN2 (0.63) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL5914905 0.74 MEN1 (0.70) DHODHALDH1A1MEN1KMT2ACYP1A2
SCHEMBL5914893 0.74 DHODH (0.58) DHODHALDH1A1MEN1KMT2ACYP1A2
SCHEMBL5914906 0.74 MEN1 (0.70) DHODHALDH1A1MEN1KMT2ACYP1A2
SCHEMBL5914892 0.74 DHODH (0.58) DHODHALDH1A1MEN1KMT2ACYP1A2
SCHEMBL1721544 0.74 SMN1; SMN2 (0.65) ALDH1A1MEN1KMT2ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5532259-A ANTITUMOR HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-02 US disclosed
US-5494911-A TREATING LEUKEMIA, SARCOMA, CARCINOMA, LYMPHOMA, SKIN CANCER HOECHST AKTIENGESELLSCHAFT (DE) 1996-02-27 US disclosed