SCHEMBL19902747

SCHEMBL19902747

CCc1ncccc1C(=N)Nc1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
DHODH Q02127 2/20 0.42
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
GRM5 P41594 1/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37

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
SCHEMBL19902734 0.84 KDM4E (0.49) ALDH1A1SMN1; SMN2KMT2ACYP1A2CYP2C9
SCHEMBL16489218 0.80 ATM (0.46) ATMEGLN1KMT2AGAA
SCHEMBL19902735 0.80 EGLN1 (0.46) ATMEGLN1DHODHALDH1A1LMNA
SCHEMBL19902738 0.78 RAB9A (0.46) ALDH1A1LMNASMN1; SMN2KMT2ACYP1A2
SCHEMBL17064036 0.76 P2RX7 (0.38) ALDH1A1KMT2AHPGDKDM4E
SCHEMBL19902802 0.74 KDM4E (0.47) ALDH1A1SMN1; SMN2KMT2ACYP1A2CYP2C9
SCHEMBL1460028 0.73 P2RX7 (0.46) ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL16491925 0.72 ATM (0.41) ATMEGLN1ALDH1A1LMNAKMT2A
SCHEMBL16469273 0.70 L3MBTL1 (0.46) ALDH1A1LMNASMN1; SMN2KMT2AGAA
SCHEMBL5056591 0.69 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2CYP1A2HPGD

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
EP-3033337-B1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2018-02-28 EP disclosed